Be2F6_dianion_vacuum SP in vacuum GAUSSIAN 32 MOL ORBITALS 580 PRIMITIVES 8 NUCLEI Be 1 (CENTRE 1) -2.22937686 0.00000000 0.00000000 CHARGE = 4.0 F 2 (CENTRE 2) 0.00000000 0.00000000 2.18414232 CHARGE = 9.0 F 3 (CENTRE 3) -3.78579883 2.42837981 0.00000000 CHARGE = 9.0 F 4 (CENTRE 4) -3.78579883 -2.42837981 0.00000000 CHARGE = 9.0 Be 5 (CENTRE 5) 2.22937686 0.00000000 0.00000000 CHARGE = 4.0 F 6 (CENTRE 6) 0.00000000 0.00000000 -2.18414232 CHARGE = 9.0 F 7 (CENTRE 7) 3.78579883 2.42837981 0.00000000 CHARGE = 9.0 F 8 (CENTRE 8) 3.78579883 -2.42837981 0.00000000 CHARGE = 9.0 CENTRE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 CENTRE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 CENTRE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 CENTRE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 CENTRE ASSIGNMENTS 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 CENTRE ASSIGNMENTS 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 CENTRE ASSIGNMENTS 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 CENTRE ASSIGNMENTS 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 CENTRE ASSIGNMENTS 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 CENTRE ASSIGNMENTS 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 CENTRE ASSIGNMENTS 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 CENTRE ASSIGNMENTS 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 CENTRE ASSIGNMENTS 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 CENTRE ASSIGNMENTS 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 CENTRE ASSIGNMENTS 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 CENTRE ASSIGNMENTS 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 CENTRE ASSIGNMENTS 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 CENTRE ASSIGNMENTS 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 CENTRE ASSIGNMENTS 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 CENTRE ASSIGNMENTS 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 CENTRE ASSIGNMENTS 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 CENTRE ASSIGNMENTS 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 CENTRE ASSIGNMENTS 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 CENTRE ASSIGNMENTS 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 CENTRE ASSIGNMENTS 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 CENTRE ASSIGNMENTS 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 CENTRE ASSIGNMENTS 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 CENTRE ASSIGNMENTS 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 CENTRE ASSIGNMENTS 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 TYPE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 TYPE ASSIGNMENTS 2 3 3 3 4 4 4 2 3 4 2 3 4 2 3 4 5 6 7 8 TYPE ASSIGNMENTS 9 10 5 6 7 8 9 10 5 6 7 8 9 10 11 12 13 17 14 15 TYPE ASSIGNMENTS 18 19 16 20 11 12 13 17 14 15 18 19 16 20 1 1 1 1 1 1 TYPE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 2 TYPE ASSIGNMENTS 3 4 2 3 4 2 3 4 5 6 7 8 9 10 5 6 7 8 9 10 TYPE ASSIGNMENTS 5 6 7 8 9 10 11 12 13 17 14 15 18 19 16 20 11 12 13 17 TYPE ASSIGNMENTS 14 15 18 19 16 20 1 1 1 1 1 1 1 1 1 1 1 1 1 1 TYPE ASSIGNMENTS 1 1 2 2 2 3 3 3 4 4 4 2 3 4 2 3 4 2 3 4 TYPE ASSIGNMENTS 5 6 7 8 9 10 5 6 7 8 9 10 5 6 7 8 9 10 11 12 TYPE ASSIGNMENTS 13 17 14 15 18 19 16 20 11 12 13 17 14 15 18 19 16 20 1 1 TYPE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 TYPE ASSIGNMENTS 4 4 4 2 3 4 2 3 4 2 3 4 5 6 7 8 9 10 5 6 TYPE ASSIGNMENTS 7 8 9 10 5 6 7 8 9 10 11 12 13 17 14 15 18 19 16 20 TYPE ASSIGNMENTS 11 12 13 17 14 15 18 19 16 20 1 1 1 1 1 1 1 1 1 1 TYPE ASSIGNMENTS 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 2 3 4 TYPE ASSIGNMENTS 2 3 4 2 3 4 5 6 7 8 9 10 5 6 7 8 9 10 5 6 TYPE ASSIGNMENTS 7 8 9 10 11 12 13 17 14 15 18 19 16 20 11 12 13 17 14 15 TYPE ASSIGNMENTS 18 19 16 20 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 TYPE ASSIGNMENTS 2 2 2 3 3 3 4 4 4 2 3 4 2 3 4 2 3 4 5 6 TYPE ASSIGNMENTS 7 8 9 10 5 6 7 8 9 10 5 6 7 8 9 10 11 12 13 17 TYPE ASSIGNMENTS 14 15 18 19 16 20 11 12 13 17 14 15 18 19 16 20 1 1 1 1 TYPE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 TYPE ASSIGNMENTS 4 2 3 4 2 3 4 2 3 4 5 6 7 8 9 10 5 6 7 8 TYPE ASSIGNMENTS 9 10 5 6 7 8 9 10 11 12 13 17 14 15 18 19 16 20 11 12 TYPE ASSIGNMENTS 13 17 14 15 18 19 16 20 1 1 1 1 1 1 1 1 1 1 1 1 TYPE ASSIGNMENTS 1 1 1 1 2 2 2 3 3 3 4 4 4 2 3 4 2 3 4 2 TYPE ASSIGNMENTS 3 4 5 6 7 8 9 10 5 6 7 8 9 10 5 6 7 8 9 10 TYPE ASSIGNMENTS 11 12 13 17 14 15 18 19 16 20 11 12 13 17 14 15 18 19 16 20 EXPONENTS 0.6863000D+04 0.1030000D+04 0.2347000D+03 0.6656000D+02 0.2169000D+02 EXPONENTS 0.7734000D+01 0.2916000D+01 0.1130000D+01 0.2347000D+03 0.6656000D+02 EXPONENTS 0.2169000D+02 0.7734000D+01 0.2916000D+01 0.1130000D+01 0.1101000D+00 EXPONENTS 0.2577000D+00 0.4409000D-01 0.1699831D-01 0.7436000D+01 0.1577000D+01 EXPONENTS 0.4352000D+00 0.7436000D+01 0.1577000D+01 0.4352000D+00 0.7436000D+01 EXPONENTS 0.1577000D+01 0.4352000D+00 0.1438000D+00 0.1438000D+00 0.1438000D+00 EXPONENTS 0.4994000D-01 0.4994000D-01 0.4994000D-01 0.1209716D-01 0.1209716D-01 EXPONENTS 0.1209716D-01 0.3480000D+00 0.3480000D+00 0.3480000D+00 0.3480000D+00 EXPONENTS 0.3480000D+00 0.3480000D+00 0.1803000D+00 0.1803000D+00 0.1803000D+00 EXPONENTS 0.1803000D+00 0.1803000D+00 0.1803000D+00 0.3932259D-01 0.3932259D-01 EXPONENTS 0.3932259D-01 0.3932259D-01 0.3932259D-01 0.3932259D-01 0.3250000D+00 EXPONENTS 0.3250000D+00 0.3250000D+00 0.3250000D+00 0.3250000D+00 0.3250000D+00 EXPONENTS 0.3250000D+00 0.3250000D+00 0.3250000D+00 0.3250000D+00 0.1005965D+00 EXPONENTS 0.1005965D+00 0.1005965D+00 0.1005965D+00 0.1005965D+00 0.1005965D+00 EXPONENTS 0.1005965D+00 0.1005965D+00 0.1005965D+00 0.1005965D+00 0.1950000D+05 EXPONENTS 0.2923000D+04 0.6645000D+03 0.1875000D+03 0.6062000D+02 0.2142000D+02 EXPONENTS 0.7950000D+01 0.6645000D+03 0.1875000D+03 0.6062000D+02 0.2142000D+02 EXPONENTS 0.7950000D+01 0.8815000D+00 0.2257000D+01 0.3041000D+00 0.9158000D-01 EXPONENTS 0.4388000D+02 0.9926000D+01 0.2930000D+01 0.4388000D+02 0.9926000D+01 EXPONENTS 0.2930000D+01 0.4388000D+02 0.9926000D+01 0.2930000D+01 0.9132000D+00 EXPONENTS 0.9132000D+00 0.9132000D+00 0.2672000D+00 0.2672000D+00 0.2672000D+00 EXPONENTS 0.7361000D-01 0.7361000D-01 0.7361000D-01 0.3107000D+01 0.3107000D+01 EXPONENTS 0.3107000D+01 0.3107000D+01 0.3107000D+01 0.3107000D+01 0.8550000D+00 EXPONENTS 0.8550000D+00 0.8550000D+00 0.8550000D+00 0.8550000D+00 0.8550000D+00 EXPONENTS 0.2920000D+00 0.2920000D+00 0.2920000D+00 0.2920000D+00 0.2920000D+00 EXPONENTS 0.2920000D+00 0.1917000D+01 0.1917000D+01 0.1917000D+01 0.1917000D+01 EXPONENTS 0.1917000D+01 0.1917000D+01 0.1917000D+01 0.1917000D+01 0.1917000D+01 EXPONENTS 0.1917000D+01 0.7240000D+00 0.7240000D+00 0.7240000D+00 0.7240000D+00 EXPONENTS 0.7240000D+00 0.7240000D+00 0.7240000D+00 0.7240000D+00 0.7240000D+00 EXPONENTS 0.7240000D+00 0.1950000D+05 0.2923000D+04 0.6645000D+03 0.1875000D+03 EXPONENTS 0.6062000D+02 0.2142000D+02 0.7950000D+01 0.6645000D+03 0.1875000D+03 EXPONENTS 0.6062000D+02 0.2142000D+02 0.7950000D+01 0.8815000D+00 0.2257000D+01 EXPONENTS 0.3041000D+00 0.9158000D-01 0.4388000D+02 0.9926000D+01 0.2930000D+01 EXPONENTS 0.4388000D+02 0.9926000D+01 0.2930000D+01 0.4388000D+02 0.9926000D+01 EXPONENTS 0.2930000D+01 0.9132000D+00 0.9132000D+00 0.9132000D+00 0.2672000D+00 EXPONENTS 0.2672000D+00 0.2672000D+00 0.7361000D-01 0.7361000D-01 0.7361000D-01 EXPONENTS 0.3107000D+01 0.3107000D+01 0.3107000D+01 0.3107000D+01 0.3107000D+01 EXPONENTS 0.3107000D+01 0.8550000D+00 0.8550000D+00 0.8550000D+00 0.8550000D+00 EXPONENTS 0.8550000D+00 0.8550000D+00 0.2920000D+00 0.2920000D+00 0.2920000D+00 EXPONENTS 0.2920000D+00 0.2920000D+00 0.2920000D+00 0.1917000D+01 0.1917000D+01 EXPONENTS 0.1917000D+01 0.1917000D+01 0.1917000D+01 0.1917000D+01 0.1917000D+01 EXPONENTS 0.1917000D+01 0.1917000D+01 0.1917000D+01 0.7240000D+00 0.7240000D+00 EXPONENTS 0.7240000D+00 0.7240000D+00 0.7240000D+00 0.7240000D+00 0.7240000D+00 EXPONENTS 0.7240000D+00 0.7240000D+00 0.7240000D+00 0.1950000D+05 0.2923000D+04 EXPONENTS 0.6645000D+03 0.1875000D+03 0.6062000D+02 0.2142000D+02 0.7950000D+01 EXPONENTS 0.6645000D+03 0.1875000D+03 0.6062000D+02 0.2142000D+02 0.7950000D+01 EXPONENTS 0.8815000D+00 0.2257000D+01 0.3041000D+00 0.9158000D-01 0.4388000D+02 EXPONENTS 0.9926000D+01 0.2930000D+01 0.4388000D+02 0.9926000D+01 0.2930000D+01 EXPONENTS 0.4388000D+02 0.9926000D+01 0.2930000D+01 0.9132000D+00 0.9132000D+00 EXPONENTS 0.9132000D+00 0.2672000D+00 0.2672000D+00 0.2672000D+00 0.7361000D-01 EXPONENTS 0.7361000D-01 0.7361000D-01 0.3107000D+01 0.3107000D+01 0.3107000D+01 EXPONENTS 0.3107000D+01 0.3107000D+01 0.3107000D+01 0.8550000D+00 0.8550000D+00 EXPONENTS 0.8550000D+00 0.8550000D+00 0.8550000D+00 0.8550000D+00 0.2920000D+00 EXPONENTS 0.2920000D+00 0.2920000D+00 0.2920000D+00 0.2920000D+00 0.2920000D+00 EXPONENTS 0.1917000D+01 0.1917000D+01 0.1917000D+01 0.1917000D+01 0.1917000D+01 EXPONENTS 0.1917000D+01 0.1917000D+01 0.1917000D+01 0.1917000D+01 0.1917000D+01 EXPONENTS 0.7240000D+00 0.7240000D+00 0.7240000D+00 0.7240000D+00 0.7240000D+00 EXPONENTS 0.7240000D+00 0.7240000D+00 0.7240000D+00 0.7240000D+00 0.7240000D+00 EXPONENTS 0.6863000D+04 0.1030000D+04 0.2347000D+03 0.6656000D+02 0.2169000D+02 EXPONENTS 0.7734000D+01 0.2916000D+01 0.1130000D+01 0.2347000D+03 0.6656000D+02 EXPONENTS 0.2169000D+02 0.7734000D+01 0.2916000D+01 0.1130000D+01 0.1101000D+00 EXPONENTS 0.2577000D+00 0.4409000D-01 0.1699831D-01 0.7436000D+01 0.1577000D+01 EXPONENTS 0.4352000D+00 0.7436000D+01 0.1577000D+01 0.4352000D+00 0.7436000D+01 EXPONENTS 0.1577000D+01 0.4352000D+00 0.1438000D+00 0.1438000D+00 0.1438000D+00 EXPONENTS 0.4994000D-01 0.4994000D-01 0.4994000D-01 0.1209716D-01 0.1209716D-01 EXPONENTS 0.1209716D-01 0.3480000D+00 0.3480000D+00 0.3480000D+00 0.3480000D+00 EXPONENTS 0.3480000D+00 0.3480000D+00 0.1803000D+00 0.1803000D+00 0.1803000D+00 EXPONENTS 0.1803000D+00 0.1803000D+00 0.1803000D+00 0.3932259D-01 0.3932259D-01 EXPONENTS 0.3932259D-01 0.3932259D-01 0.3932259D-01 0.3932259D-01 0.3250000D+00 EXPONENTS 0.3250000D+00 0.3250000D+00 0.3250000D+00 0.3250000D+00 0.3250000D+00 EXPONENTS 0.3250000D+00 0.3250000D+00 0.3250000D+00 0.3250000D+00 0.1005965D+00 EXPONENTS 0.1005965D+00 0.1005965D+00 0.1005965D+00 0.1005965D+00 0.1005965D+00 EXPONENTS 0.1005965D+00 0.1005965D+00 0.1005965D+00 0.1005965D+00 0.1950000D+05 EXPONENTS 0.2923000D+04 0.6645000D+03 0.1875000D+03 0.6062000D+02 0.2142000D+02 EXPONENTS 0.7950000D+01 0.6645000D+03 0.1875000D+03 0.6062000D+02 0.2142000D+02 EXPONENTS 0.7950000D+01 0.8815000D+00 0.2257000D+01 0.3041000D+00 0.9158000D-01 EXPONENTS 0.4388000D+02 0.9926000D+01 0.2930000D+01 0.4388000D+02 0.9926000D+01 EXPONENTS 0.2930000D+01 0.4388000D+02 0.9926000D+01 0.2930000D+01 0.9132000D+00 EXPONENTS 0.9132000D+00 0.9132000D+00 0.2672000D+00 0.2672000D+00 0.2672000D+00 EXPONENTS 0.7361000D-01 0.7361000D-01 0.7361000D-01 0.3107000D+01 0.3107000D+01 EXPONENTS 0.3107000D+01 0.3107000D+01 0.3107000D+01 0.3107000D+01 0.8550000D+00 EXPONENTS 0.8550000D+00 0.8550000D+00 0.8550000D+00 0.8550000D+00 0.8550000D+00 EXPONENTS 0.2920000D+00 0.2920000D+00 0.2920000D+00 0.2920000D+00 0.2920000D+00 EXPONENTS 0.2920000D+00 0.1917000D+01 0.1917000D+01 0.1917000D+01 0.1917000D+01 EXPONENTS 0.1917000D+01 0.1917000D+01 0.1917000D+01 0.1917000D+01 0.1917000D+01 EXPONENTS 0.1917000D+01 0.7240000D+00 0.7240000D+00 0.7240000D+00 0.7240000D+00 EXPONENTS 0.7240000D+00 0.7240000D+00 0.7240000D+00 0.7240000D+00 0.7240000D+00 EXPONENTS 0.7240000D+00 0.1950000D+05 0.2923000D+04 0.6645000D+03 0.1875000D+03 EXPONENTS 0.6062000D+02 0.2142000D+02 0.7950000D+01 0.6645000D+03 0.1875000D+03 EXPONENTS 0.6062000D+02 0.2142000D+02 0.7950000D+01 0.8815000D+00 0.2257000D+01 EXPONENTS 0.3041000D+00 0.9158000D-01 0.4388000D+02 0.9926000D+01 0.2930000D+01 EXPONENTS 0.4388000D+02 0.9926000D+01 0.2930000D+01 0.4388000D+02 0.9926000D+01 EXPONENTS 0.2930000D+01 0.9132000D+00 0.9132000D+00 0.9132000D+00 0.2672000D+00 EXPONENTS 0.2672000D+00 0.2672000D+00 0.7361000D-01 0.7361000D-01 0.7361000D-01 EXPONENTS 0.3107000D+01 0.3107000D+01 0.3107000D+01 0.3107000D+01 0.3107000D+01 EXPONENTS 0.3107000D+01 0.8550000D+00 0.8550000D+00 0.8550000D+00 0.8550000D+00 EXPONENTS 0.8550000D+00 0.8550000D+00 0.2920000D+00 0.2920000D+00 0.2920000D+00 EXPONENTS 0.2920000D+00 0.2920000D+00 0.2920000D+00 0.1917000D+01 0.1917000D+01 EXPONENTS 0.1917000D+01 0.1917000D+01 0.1917000D+01 0.1917000D+01 0.1917000D+01 EXPONENTS 0.1917000D+01 0.1917000D+01 0.1917000D+01 0.7240000D+00 0.7240000D+00 EXPONENTS 0.7240000D+00 0.7240000D+00 0.7240000D+00 0.7240000D+00 0.7240000D+00 EXPONENTS 0.7240000D+00 0.7240000D+00 0.7240000D+00 0.1950000D+05 0.2923000D+04 EXPONENTS 0.6645000D+03 0.1875000D+03 0.6062000D+02 0.2142000D+02 0.7950000D+01 EXPONENTS 0.6645000D+03 0.1875000D+03 0.6062000D+02 0.2142000D+02 0.7950000D+01 EXPONENTS 0.8815000D+00 0.2257000D+01 0.3041000D+00 0.9158000D-01 0.4388000D+02 EXPONENTS 0.9926000D+01 0.2930000D+01 0.4388000D+02 0.9926000D+01 0.2930000D+01 EXPONENTS 0.4388000D+02 0.9926000D+01 0.2930000D+01 0.9132000D+00 0.9132000D+00 EXPONENTS 0.9132000D+00 0.2672000D+00 0.2672000D+00 0.2672000D+00 0.7361000D-01 EXPONENTS 0.7361000D-01 0.7361000D-01 0.3107000D+01 0.3107000D+01 0.3107000D+01 EXPONENTS 0.3107000D+01 0.3107000D+01 0.3107000D+01 0.8550000D+00 0.8550000D+00 EXPONENTS 0.8550000D+00 0.8550000D+00 0.8550000D+00 0.8550000D+00 0.2920000D+00 EXPONENTS 0.2920000D+00 0.2920000D+00 0.2920000D+00 0.2920000D+00 0.2920000D+00 EXPONENTS 0.1917000D+01 0.1917000D+01 0.1917000D+01 0.1917000D+01 0.1917000D+01 EXPONENTS 0.1917000D+01 0.1917000D+01 0.1917000D+01 0.1917000D+01 0.1917000D+01 EXPONENTS 0.7240000D+00 0.7240000D+00 0.7240000D+00 0.7240000D+00 0.7240000D+00 EXPONENTS 0.7240000D+00 0.7240000D+00 0.7240000D+00 0.7240000D+00 0.7240000D+00 MO 1 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -24.854957 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.30863368D-04 -0.26004537D-04 -0.20537826D-04 0.00000000D+00 0.00000000D+00 0.19682953D-03 0.00000000D+00 0.00000000D+00 0.41729134D-05 0.00000000D+00 0.00000000D+00 -0.20602981D-06 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.38088091D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.20169015D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.11230631D-05 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.18894194D-04 0.00000000D+00 0.00000000D+00 0.18130680D-03 0.00000000D+00 0.00000000D+00 -0.23798938D-03 0.00000000D+00 0.00000000D+00 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-0.31427360D-04 -0.20765385D-04 0.00000000D+00 0.00000000D+00 -0.16097242D-04 0.00000000D+00 0.00000000D+00 0.15079173D-03 0.00000000D+00 0.00000000D+00 0.48501829D-05 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.36358872D-03 0.19526027D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.14072855D-03 -0.69884456D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.75292290D-04 -0.99831115D-04 0.00000000D+00 0.00000000D+00 0.12746984D-03 0.00000000D+00 0.00000000D+00 -0.15085216D-03 0.00000000D+00 0.00000000D+00 -0.23155737D-03 -0.91237462D-03 0.00000000D+00 0.00000000D+00 -0.56828063D-04 0.00000000D+00 0.00000000D+00 0.83959931D-04 0.00000000D+00 0.00000000D+00 0.86524259D-04 0.37781453D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.32135032D-04 -0.31427360D-04 -0.20765385D-04 0.00000000D+00 0.00000000D+00 -0.16097242D-04 0.00000000D+00 0.00000000D+00 0.15079173D-03 0.00000000D+00 0.00000000D+00 0.48501829D-05 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.36358872D-03 -0.19526027D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.14072855D-03 0.69884456D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.75292290D-04 0.99831115D-04 0.00000000D+00 0.00000000D+00 0.12746984D-03 0.00000000D+00 0.00000000D+00 -0.15085216D-03 0.00000000D+00 0.00000000D+00 -0.23155737D-03 0.91237462D-03 0.00000000D+00 0.00000000D+00 -0.56828063D-04 0.00000000D+00 0.00000000D+00 0.83959931D-04 0.00000000D+00 0.00000000D+00 0.86524259D-04 -0.37781453D-03 MO 2 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -24.854947 0.20388569D-04 0.38037944D-04 0.64936631D-04 0.10133914D-03 0.13812761D-03 0.14988567D-03 0.10915598D-03 0.33298889D-04 -0.13300880D-05 -0.37863876D-05 -0.22669305D-04 -0.55978905D-04 -0.14759654D-03 -0.17295076D-03 0.19893438D-03 -0.17597373D-04 0.11618448D-04 0.35565174D-05 -0.89825029D-04 -0.75683842D-04 -0.59773478D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.27309416D-03 0.00000000D+00 0.00000000D+00 0.44695001D-04 0.00000000D+00 0.00000000D+00 0.33939863D-06 0.00000000D+00 0.00000000D+00 0.47387864D-04 -0.12159961D-03 0.74211750D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.15165736D-03 -0.16650593D-03 0.14848574D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.21325794D-05 -0.11342006D-05 -0.99837872D-06 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.23522047D-04 0.00000000D+00 0.00000000D+00 -0.66474279D-04 0.00000000D+00 0.00000000D+00 0.13704042D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 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0.89252841D-04 0.87287329D-04 0.57674429D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.98080201D-04 -0.63907568D-04 0.00000000D+00 -0.24313171D-03 0.35807032D-04 0.00000000D+00 -0.10898471D-05 -0.56048019D-05 0.00000000D+00 -0.72328868D-04 0.30791620D-04 0.41537248D-04 -0.21257718D-03 0.00000000D+00 0.00000000D+00 0.15616769D-04 0.66428979D-05 -0.22259667D-04 0.75893992D-04 0.00000000D+00 0.00000000D+00 0.60850157D-04 -0.73239671D-04 0.12389514D-04 0.59711372D-04 0.00000000D+00 0.00000000D+00 0.47046168D-04 -0.20759336D-03 0.00000000D+00 -0.52985193D-04 0.27715814D-03 0.00000000D+00 -0.88153310D-04 0.34562194D-03 0.00000000D+00 0.00000000D+00 -0.15815304D-04 0.79685332D-04 0.00000000D+00 0.15057909D-04 -0.12663408D-03 0.00000000D+00 0.32388003D-04 -0.11242191D-03 0.00000000D+00 0.00000000D+00 -0.59648261D-04 -0.11118446D-03 -0.18848243D-03 -0.28538789D-03 -0.35679772D-03 -0.30691002D-03 -0.11770660D-03 0.59392038D-06 0.78623938D-05 0.28557645D-04 0.84715715D-04 0.97617751D-04 -0.11857130D-03 0.14260545D-04 0.23045058D-03 0.93218953D-04 -0.57184081D-04 -0.55924782D-04 -0.36951868D-04 -0.89252841D-04 -0.87287329D-04 -0.57674429D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.98080201D-04 0.63907568D-04 0.00000000D+00 -0.24313171D-03 -0.35807032D-04 0.00000000D+00 -0.10898471D-05 0.56048019D-05 0.00000000D+00 -0.72328868D-04 0.30791620D-04 0.41537248D-04 0.21257718D-03 0.00000000D+00 0.00000000D+00 0.15616769D-04 0.66428979D-05 -0.22259667D-04 -0.75893992D-04 0.00000000D+00 0.00000000D+00 0.60850157D-04 -0.73239671D-04 0.12389514D-04 -0.59711372D-04 0.00000000D+00 0.00000000D+00 0.47046168D-04 0.20759336D-03 0.00000000D+00 -0.52985193D-04 -0.27715814D-03 0.00000000D+00 -0.88153310D-04 -0.34562194D-03 0.00000000D+00 0.00000000D+00 -0.15815304D-04 -0.79685332D-04 0.00000000D+00 0.15057909D-04 0.12663408D-03 0.00000000D+00 0.32388003D-04 0.11242191D-03 0.00000000D+00 0.00000000D+00 MO 3 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -24.814397 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.13079623D-06 -0.11020494D-06 -0.87037498D-07 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.23305894D-03 0.00000000D+00 0.00000000D+00 0.14064336D-03 0.00000000D+00 0.00000000D+00 0.35238789D-06 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.17295758D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.26567206D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.98265809D-05 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.29036530D-04 0.00000000D+00 0.00000000D+00 0.51350052D-04 0.00000000D+00 0.00000000D+00 -0.13845964D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.25226660D-05 0.00000000D+00 0.00000000D+00 -0.96709629D-06 0.00000000D+00 0.00000000D+00 -0.66009016D-05 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.34908619D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.10429968D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.12763755D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.87907152D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.35906760D-03 0.29776663D+00 0.55503751D+00 0.94091223D+00 0.14246684D+01 0.17811492D+01 0.15321078D+01 0.58759630D+00 0.15450917D-04 0.20454120D-03 0.74293087D-03 0.22038904D-02 0.25395386D-02 -0.30846479D-02 0.30021170D-01 0.47351556D-04 -0.37192875D-03 0.83217889D-03 0.81385278D-03 0.53774694D-03 -0.12739879D-02 -0.12459323D-02 -0.82324017D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.19255905D-03 0.22765215D-03 0.00000000D+00 -0.27249704D-04 0.17239696D-03 0.00000000D+00 -0.40536145D-04 0.87251930D-05 0.00000000D+00 -0.45727782D-04 0.23742520D-03 -0.19169742D-03 -0.39708915D-03 0.00000000D+00 0.00000000D+00 0.14075651D-04 -0.89380170D-04 0.75304519D-04 0.16456459D-03 0.00000000D+00 0.00000000D+00 0.17997695D-04 -0.15320097D-04 -0.26775974D-05 -0.30385370D-04 0.00000000D+00 0.00000000D+00 0.16686903D-04 -0.27052029D-04 0.00000000D+00 0.66835308D-05 0.18427831D-03 0.00000000D+00 -0.56744239D-04 -0.10312222D-03 0.00000000D+00 0.00000000D+00 -0.65262344D-05 0.18701093D-04 0.00000000D+00 -0.29102224D-05 -0.66467633D-04 0.00000000D+00 0.22488926D-04 0.10364353D-04 0.00000000D+00 0.00000000D+00 -0.29776663D+00 -0.55503751D+00 -0.94091223D+00 -0.14246684D+01 -0.17811492D+01 -0.15321078D+01 -0.58759630D+00 -0.15450917D-04 -0.20454120D-03 -0.74293087D-03 -0.22038904D-02 -0.25395386D-02 0.30846479D-02 -0.30021170D-01 -0.47351556D-04 0.37192875D-03 -0.83217889D-03 -0.81385278D-03 -0.53774694D-03 -0.12739879D-02 -0.12459323D-02 -0.82324017D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.19255905D-03 0.22765215D-03 0.00000000D+00 0.27249704D-04 0.17239696D-03 0.00000000D+00 0.40536145D-04 0.87251930D-05 0.00000000D+00 0.45727782D-04 -0.23742520D-03 0.19169742D-03 -0.39708915D-03 0.00000000D+00 0.00000000D+00 -0.14075651D-04 0.89380170D-04 -0.75304519D-04 0.16456459D-03 0.00000000D+00 0.00000000D+00 -0.17997695D-04 0.15320097D-04 0.26775974D-05 -0.30385370D-04 0.00000000D+00 0.00000000D+00 -0.16686903D-04 -0.27052029D-04 0.00000000D+00 -0.66835308D-05 0.18427831D-03 0.00000000D+00 0.56744239D-04 -0.10312222D-03 0.00000000D+00 0.00000000D+00 0.65262344D-05 0.18701093D-04 0.00000000D+00 0.29102224D-05 -0.66467633D-04 0.00000000D+00 -0.22488926D-04 0.10364353D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.13079623D-06 0.11020494D-06 0.87037498D-07 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.23305894D-03 0.00000000D+00 0.00000000D+00 -0.14064336D-03 0.00000000D+00 0.00000000D+00 -0.35238789D-06 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.17295758D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.26567206D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.98265809D-05 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.29036530D-04 0.00000000D+00 0.00000000D+00 -0.51350052D-04 0.00000000D+00 0.00000000D+00 0.13845964D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.25226660D-05 0.00000000D+00 0.00000000D+00 0.96709629D-06 0.00000000D+00 0.00000000D+00 0.66009016D-05 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.34908619D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.10429968D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.12763755D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.87907152D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.35906760D-03 -0.29776663D+00 -0.55503751D+00 -0.94091223D+00 -0.14246684D+01 -0.17811492D+01 -0.15321078D+01 -0.58759630D+00 -0.15450917D-04 -0.20454120D-03 -0.74293087D-03 -0.22038904D-02 -0.25395386D-02 0.30846479D-02 -0.30021170D-01 -0.47351556D-04 0.37192875D-03 0.83217889D-03 0.81385278D-03 0.53774694D-03 0.12739879D-02 0.12459323D-02 0.82324017D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.19255905D-03 -0.22765215D-03 0.00000000D+00 -0.27249704D-04 -0.17239696D-03 0.00000000D+00 -0.40536145D-04 -0.87251930D-05 0.00000000D+00 0.45727782D-04 -0.23742520D-03 0.19169742D-03 -0.39708915D-03 0.00000000D+00 0.00000000D+00 -0.14075651D-04 0.89380170D-04 -0.75304519D-04 0.16456459D-03 0.00000000D+00 0.00000000D+00 -0.17997695D-04 0.15320097D-04 0.26775974D-05 -0.30385370D-04 0.00000000D+00 0.00000000D+00 0.16686903D-04 0.27052029D-04 0.00000000D+00 0.66835308D-05 -0.18427831D-03 0.00000000D+00 -0.56744239D-04 0.10312222D-03 0.00000000D+00 0.00000000D+00 -0.65262344D-05 -0.18701093D-04 0.00000000D+00 -0.29102224D-05 0.66467633D-04 0.00000000D+00 0.22488926D-04 -0.10364353D-04 0.00000000D+00 0.00000000D+00 0.29776663D+00 0.55503751D+00 0.94091223D+00 0.14246684D+01 0.17811492D+01 0.15321078D+01 0.58759630D+00 0.15450917D-04 0.20454120D-03 0.74293087D-03 0.22038904D-02 0.25395386D-02 -0.30846479D-02 0.30021170D-01 0.47351556D-04 -0.37192875D-03 -0.83217889D-03 -0.81385278D-03 -0.53774694D-03 0.12739879D-02 0.12459323D-02 0.82324017D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.19255905D-03 -0.22765215D-03 0.00000000D+00 0.27249704D-04 -0.17239696D-03 0.00000000D+00 0.40536145D-04 -0.87251930D-05 0.00000000D+00 -0.45727782D-04 0.23742520D-03 -0.19169742D-03 -0.39708915D-03 0.00000000D+00 0.00000000D+00 0.14075651D-04 -0.89380170D-04 0.75304519D-04 0.16456459D-03 0.00000000D+00 0.00000000D+00 0.17997695D-04 -0.15320097D-04 -0.26775974D-05 -0.30385370D-04 0.00000000D+00 0.00000000D+00 -0.16686903D-04 0.27052029D-04 0.00000000D+00 -0.66835308D-05 -0.18427831D-03 0.00000000D+00 0.56744239D-04 0.10312222D-03 0.00000000D+00 0.00000000D+00 0.65262344D-05 -0.18701093D-04 0.00000000D+00 0.29102224D-05 0.66467633D-04 0.00000000D+00 -0.22488926D-04 -0.10364353D-04 0.00000000D+00 0.00000000D+00 MO 4 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -24.814397 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.18128262D-05 -0.15274323D-05 -0.12063333D-05 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.16748020D-03 0.00000000D+00 0.00000000D+00 0.25206772D-04 0.00000000D+00 0.00000000D+00 -0.26117001D-06 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.24446239D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.14307727D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.50310960D-06 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.15901539D-04 0.00000000D+00 0.00000000D+00 0.73298797D-04 0.00000000D+00 0.00000000D+00 -0.12100341D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.55515204D-06 0.00000000D+00 0.00000000D+00 -0.10705368D-05 0.00000000D+00 0.00000000D+00 -0.59491935D-06 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.23530534D-04 0.23012348D-04 0.15205232D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.72618110D-04 0.00000000D+00 0.00000000D+00 0.15940040D-03 0.00000000D+00 0.00000000D+00 -0.92423402D-05 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.14895919D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.33302624D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.83898441D-04 0.00000000D+00 0.19211164D-03 0.00000000D+00 0.00000000D+00 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-0.30284298D-04 0.00000000D+00 0.00000000D+00 0.14652059D-05 -0.63429973D-04 0.00000000D+00 0.27668593D-04 0.24107032D-03 0.00000000D+00 -0.32064211D-04 -0.50780399D-04 0.00000000D+00 0.00000000D+00 0.46500194D-06 0.33034962D-04 0.00000000D+00 -0.15030749D-04 -0.92576846D-04 0.00000000D+00 0.13635743D-04 -0.65280414D-05 0.00000000D+00 0.00000000D+00 -0.29776328D+00 -0.55503127D+00 -0.94090166D+00 -0.14246524D+01 -0.17811292D+01 -0.15320905D+01 -0.58758970D+00 -0.15552919D-04 -0.20589152D-03 -0.74783547D-03 -0.22184398D-02 -0.25563038D-02 0.31050117D-02 -0.30023850D-01 -0.14866082D-03 0.18054865D-03 -0.81019262D-03 -0.79235069D-03 -0.52353960D-03 -0.13056721D-02 -0.12769188D-02 -0.84371422D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.17690136D-03 0.25101134D-03 0.00000000D+00 0.10426560D-04 0.12739588D-03 0.00000000D+00 0.11452941D-04 0.61349487D-05 0.00000000D+00 0.50210880D-04 -0.27421846D-03 0.22400758D-03 -0.38135712D-03 0.00000000D+00 0.00000000D+00 -0.17897984D-04 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ENERGY = -24.814392 0.16977718D-04 0.31674488D-04 0.54073231D-04 0.84385880D-04 0.11501992D-03 0.12481095D-03 0.90895022D-04 0.27728241D-04 -0.15103733D-05 -0.42996095D-05 -0.25741992D-04 -0.63566506D-04 -0.16760236D-03 -0.19639319D-03 0.22589873D-03 0.19128325D-03 0.35988707D-03 -0.74450046D-04 0.22674684D-04 0.19105001D-04 0.15088720D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.39093771D-03 0.00000000D+00 0.00000000D+00 0.94747654D-05 0.00000000D+00 0.00000000D+00 -0.17088642D-05 0.00000000D+00 0.00000000D+00 0.82267147D-05 0.11529474D-03 -0.12352145D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.85293427D-04 0.11460908D-03 -0.29315651D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.45831494D-06 0.76754952D-07 -0.53506989D-06 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.52972968D-04 0.00000000D+00 0.00000000D+00 -0.15949862D-03 0.00000000D+00 0.00000000D+00 0.57971651D-06 0.00000000D+00 0.00000000D+00 0.00000000D+00 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0.64861413D-04 0.00000000D+00 0.00000000D+00 -0.80891173D-04 0.77321508D-04 0.00000000D+00 0.23208728D-03 -0.19191579D-03 0.00000000D+00 0.10586234D-04 -0.40048729D-04 0.00000000D+00 0.00000000D+00 0.30306880D-04 -0.33345640D-04 0.00000000D+00 -0.95959540D-04 0.86160205D-04 0.00000000D+00 0.50389013D-05 0.13876716D-04 0.00000000D+00 0.00000000D+00 0.29777391D+00 0.55505109D+00 0.94093525D+00 0.14247032D+01 0.17811928D+01 0.15321452D+01 0.58761067D+00 0.15269480D-04 0.20213933D-03 0.73420682D-03 0.21780107D-02 0.25097174D-02 -0.30484256D-02 0.30002092D-01 0.50013676D-04 -0.31438271D-03 0.78198401D-03 0.76476328D-03 0.50531143D-03 0.12244430D-02 0.11974785D-02 0.79122465D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.12677962D-03 -0.21230355D-03 0.00000000D+00 -0.18151598D-03 -0.14457285D-03 0.00000000D+00 -0.11640086D-04 -0.22841137D-04 0.00000000D+00 0.46420132D-04 0.10679709D-03 -0.15321722D-03 0.51571158D-03 0.00000000D+00 0.00000000D+00 -0.18073615D-04 -0.40749751D-04 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0.30484256D-02 -0.30002092D-01 -0.50013676D-04 0.31438271D-03 0.78198401D-03 0.76476328D-03 0.50531143D-03 -0.12244430D-02 -0.11974785D-02 -0.79122465D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.12677962D-03 0.21230355D-03 0.00000000D+00 -0.18151598D-03 0.14457285D-03 0.00000000D+00 -0.11640086D-04 0.22841137D-04 0.00000000D+00 -0.46420132D-04 -0.10679709D-03 0.15321722D-03 0.51571158D-03 0.00000000D+00 0.00000000D+00 0.18073615D-04 0.40749751D-04 -0.58823366D-04 -0.19691522D-03 0.00000000D+00 0.00000000D+00 0.11387129D-04 -0.11855890D-04 0.46876054D-06 -0.64861413D-04 0.00000000D+00 0.00000000D+00 -0.80891173D-04 0.77321508D-04 0.00000000D+00 0.23208728D-03 -0.19191579D-03 0.00000000D+00 0.10586234D-04 -0.40048729D-04 0.00000000D+00 0.00000000D+00 0.30306880D-04 -0.33345640D-04 0.00000000D+00 -0.95959540D-04 0.86160205D-04 0.00000000D+00 0.50389013D-05 0.13876716D-04 0.00000000D+00 0.00000000D+00 MO 6 MO 0.0 OCC NO = 2.0000000 ORB. 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-0.15917690D-03 -0.57815947D-03 -0.17150992D-02 -0.19763054D-02 0.24005173D-02 0.36047851D-03 -0.44160047D-02 -0.20186008D-02 -0.22359446D-02 -0.21867050D-02 -0.14448484D-02 0.36324322D-02 0.35524394D-02 0.23472469D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.67212908D-03 0.92060715D-03 0.00000000D+00 0.23261138D-02 -0.34967354D-02 0.00000000D+00 0.17972254D-03 -0.21584920D-03 0.00000000D+00 -0.40876760D-03 0.15397194D-02 -0.11309519D-02 -0.39633341D-02 0.00000000D+00 0.00000000D+00 0.17558790D-03 -0.30785921D-03 0.13227131D-03 0.83482825D-03 0.00000000D+00 0.00000000D+00 0.53767243D-06 -0.49632253D-03 0.49578486D-03 0.12618836D-02 0.00000000D+00 0.00000000D+00 0.61907762D-03 0.13011180D-03 0.00000000D+00 -0.27113679D-02 0.11027483D-02 0.00000000D+00 0.85413506D-03 -0.14930837D-02 0.00000000D+00 0.00000000D+00 -0.26047066D-03 -0.51683860D-04 0.00000000D+00 0.10964808D-02 -0.41617099D-03 0.00000000D+00 -0.31506883D-03 0.57122257D-03 0.00000000D+00 0.00000000D+00 MO 8 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -3.877222 0.89853204D-01 0.16763468D+00 0.28617822D+00 0.44660548D+00 0.60873367D+00 0.66055190D+00 0.48105459D+00 0.14674948D+00 -0.50344862D-04 -0.14331771D-03 -0.85805079D-03 -0.21188450D-02 -0.55866437D-02 -0.65463205D-02 0.75298208D-02 0.15080432D-01 0.10637589D-01 -0.55833109D-03 0.78165323D-03 0.65859729D-03 0.52014603D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.19767518D-02 0.00000000D+00 0.00000000D+00 0.24400846D-02 0.00000000D+00 0.00000000D+00 -0.11815091D-04 0.00000000D+00 0.00000000D+00 0.41210509D-03 0.13875608D-03 -0.55086117D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.22183013D-03 -0.18983029D-03 -0.31999839D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.29124249D-04 -0.24700852D-04 -0.44233978D-05 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.12297939D-03 0.00000000D+00 0.00000000D+00 -0.18903662D-02 0.00000000D+00 0.00000000D+00 0.15214281D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 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0.52110041D-03 0.11418296D-02 0.00000000D+00 0.00000000D+00 -0.80685978D-03 -0.38471835D-03 0.00000000D+00 0.30165797D-02 -0.82054029D-03 0.00000000D+00 -0.59600033D-03 0.19746953D-02 0.00000000D+00 0.00000000D+00 0.31692880D-03 0.14793854D-03 0.00000000D+00 -0.11663956D-02 0.31852609D-03 0.00000000D+00 0.21560920D-03 -0.76234170D-03 0.00000000D+00 0.00000000D+00 -0.67646518D-04 -0.12609323D-03 -0.21375611D-03 -0.32365566D-03 -0.40464086D-03 -0.34806370D-03 -0.13348992D-03 -0.10414410D-04 -0.13786729D-03 -0.50075906D-03 -0.14854923D-02 -0.17117299D-02 0.20791509D-02 0.38144155D-03 -0.32402948D-02 -0.13781582D-02 0.22446532D-02 0.21952218D-02 0.14504759D-02 0.37479749D-02 0.36654376D-02 0.24219096D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.72571525D-03 0.83891743D-03 0.00000000D+00 -0.21937755D-02 -0.31532750D-02 0.00000000D+00 -0.37465616D-03 -0.11005876D-03 0.00000000D+00 -0.42086196D-03 0.15380287D-02 -0.11171667D-02 0.42167882D-02 0.00000000D+00 0.00000000D+00 0.18897228D-03 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0.00000000D+00 0.00000000D+00 0.68210901D-02 0.00000000D+00 0.00000000D+00 0.10983869D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.47039008D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.21774780D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.39429164D-02 0.00000000D+00 0.57956495D-03 0.00000000D+00 0.00000000D+00 0.60595290D-02 0.00000000D+00 0.00000000D+00 -0.77982238D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.20891934D-03 0.00000000D+00 0.00000000D+00 -0.23451713D-02 0.00000000D+00 0.00000000D+00 0.29719293D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.67646518D-04 0.12609323D-03 0.21375611D-03 0.32365566D-03 0.40464086D-03 0.34806370D-03 0.13348992D-03 0.10414410D-04 0.13786729D-03 0.50075906D-03 0.14854923D-02 0.17117299D-02 -0.20791509D-02 -0.38144155D-03 0.32402948D-02 0.13781582D-02 0.22446532D-02 0.21952218D-02 0.14504759D-02 0.37479749D-02 0.36654376D-02 0.24219096D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.72571525D-03 0.83891743D-03 0.00000000D+00 -0.21937755D-02 -0.31532750D-02 0.00000000D+00 -0.37465616D-03 -0.11005876D-03 0.00000000D+00 0.42086196D-03 -0.15380287D-02 0.11171667D-02 -0.42167882D-02 0.00000000D+00 0.00000000D+00 -0.18897228D-03 0.29461305D-03 -0.10564077D-03 0.93004054D-03 0.00000000D+00 0.00000000D+00 0.25024952D-04 0.49607546D-03 -0.52110041D-03 0.11418296D-02 0.00000000D+00 0.00000000D+00 -0.80685978D-03 0.38471835D-03 0.00000000D+00 0.30165797D-02 0.82054029D-03 0.00000000D+00 -0.59600033D-03 -0.19746953D-02 0.00000000D+00 0.00000000D+00 0.31692880D-03 -0.14793854D-03 0.00000000D+00 -0.11663956D-02 -0.31852609D-03 0.00000000D+00 0.21560920D-03 0.76234170D-03 0.00000000D+00 0.00000000D+00 0.67646518D-04 0.12609323D-03 0.21375611D-03 0.32365566D-03 0.40464086D-03 0.34806370D-03 0.13348992D-03 0.10414410D-04 0.13786729D-03 0.50075906D-03 0.14854923D-02 0.17117299D-02 -0.20791509D-02 -0.38144155D-03 0.32402948D-02 0.13781582D-02 0.22446532D-02 0.21952218D-02 0.14504759D-02 -0.37479749D-02 -0.36654376D-02 -0.24219096D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.72571525D-03 -0.83891743D-03 0.00000000D+00 -0.21937755D-02 0.31532750D-02 0.00000000D+00 -0.37465616D-03 0.11005876D-03 0.00000000D+00 0.42086196D-03 -0.15380287D-02 0.11171667D-02 0.42167882D-02 0.00000000D+00 0.00000000D+00 -0.18897228D-03 0.29461305D-03 -0.10564077D-03 -0.93004054D-03 0.00000000D+00 0.00000000D+00 0.25024952D-04 0.49607546D-03 -0.52110041D-03 -0.11418296D-02 0.00000000D+00 0.00000000D+00 -0.80685978D-03 -0.38471835D-03 0.00000000D+00 0.30165797D-02 -0.82054029D-03 0.00000000D+00 -0.59600033D-03 0.19746953D-02 0.00000000D+00 0.00000000D+00 0.31692880D-03 0.14793854D-03 0.00000000D+00 -0.11663956D-02 0.31852609D-03 0.00000000D+00 0.21560920D-03 -0.76234170D-03 0.00000000D+00 0.00000000D+00 MO 9 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.956036 -0.51472184D-02 -0.96029108D-02 -0.16393648D-01 -0.25583683D-01 -0.34871156D-01 -0.37839551D-01 -0.27557092D-01 -0.84065075D-02 -0.59683071D-04 -0.16990097D-03 -0.10172062D-02 -0.25118586D-02 -0.66228814D-02 -0.77605637D-02 0.89264883D-02 0.57876537D-02 0.73357984D-04 -0.49586371D-04 0.14676016D-01 0.12365566D-01 0.97660589D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.11844355D-02 0.00000000D+00 0.00000000D+00 -0.71597727D-04 0.00000000D+00 0.00000000D+00 0.22472423D-05 0.00000000D+00 0.00000000D+00 0.22973239D-02 -0.32897321D-02 0.99240821D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.54824636D-03 -0.28085861D-03 -0.26738775D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.15921278D-04 0.12679252D-05 -0.17189204D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.80062171D-04 0.00000000D+00 0.00000000D+00 -0.20001267D-02 0.00000000D+00 0.00000000D+00 0.22403132D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 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-0.14999991D-01 -0.99111280D-02 -0.11682722D-01 -0.11425447D-01 -0.75492760D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.34736844D-02 -0.35032716D-02 0.00000000D+00 -0.14005277D-02 0.93867969D-03 0.00000000D+00 -0.55987369D-04 0.17276154D-03 0.00000000D+00 -0.20370316D-03 0.36838465D-03 -0.16468149D-03 0.97330816D-03 0.00000000D+00 0.00000000D+00 0.49162346D-03 0.70494535D-04 -0.56211800D-03 0.16679943D-02 0.00000000D+00 0.00000000D+00 0.51946083D-03 -0.57745389D-03 0.57993066D-04 0.78386698D-03 0.00000000D+00 0.00000000D+00 0.34310191D-03 -0.90899927D-03 0.00000000D+00 0.49738324D-03 0.10609769D-02 0.00000000D+00 -0.15266890D-02 0.16660209D-02 0.00000000D+00 0.00000000D+00 -0.90331458D-04 0.59295369D-03 0.00000000D+00 -0.65013871D-03 -0.13341644D-02 0.00000000D+00 0.92113308D-03 -0.44469663D-03 0.00000000D+00 0.00000000D+00 -0.99865235D-02 -0.18614897D-01 -0.31556398D-01 -0.47780654D-01 -0.59736341D-01 -0.51383965D-01 -0.19706857D-01 -0.13058449D-03 -0.17286941D-02 -0.62789316D-02 -0.18626332D-01 -0.21463086D-01 0.26070115D-01 0.15485244D-01 0.67797469D-02 -0.64318963D-03 -0.15337756D-01 -0.14999991D-01 -0.99111280D-02 0.11682722D-01 0.11425447D-01 0.75492760D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.34736844D-02 0.35032716D-02 0.00000000D+00 -0.14005277D-02 -0.93867969D-03 0.00000000D+00 -0.55987369D-04 -0.17276154D-03 0.00000000D+00 -0.20370316D-03 0.36838465D-03 -0.16468149D-03 -0.97330816D-03 0.00000000D+00 0.00000000D+00 0.49162346D-03 0.70494535D-04 -0.56211800D-03 -0.16679943D-02 0.00000000D+00 0.00000000D+00 0.51946083D-03 -0.57745389D-03 0.57993066D-04 -0.78386698D-03 0.00000000D+00 0.00000000D+00 0.34310191D-03 0.90899927D-03 0.00000000D+00 0.49738324D-03 -0.10609769D-02 0.00000000D+00 -0.15266890D-02 -0.16660209D-02 0.00000000D+00 0.00000000D+00 -0.90331458D-04 -0.59295369D-03 0.00000000D+00 -0.65013871D-03 0.13341644D-02 0.00000000D+00 0.92113308D-03 0.44469663D-03 0.00000000D+00 0.00000000D+00 MO 10 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.929400 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.16127937D-01 0.13588910D-01 0.10732230D-01 0.00000000D+00 0.00000000D+00 0.25092677D-02 0.00000000D+00 0.00000000D+00 -0.17268020D-03 0.00000000D+00 0.00000000D+00 -0.21808921D-06 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.11740202D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.20295647D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.32911410D-05 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.20582672D-03 0.00000000D+00 0.00000000D+00 0.34715685D-02 0.00000000D+00 0.00000000D+00 -0.40890487D-02 0.00000000D+00 0.00000000D+00 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0.14488341D-02 -0.15640127D-02 0.00000000D+00 0.00000000D+00 0.78034642D-03 0.00000000D+00 0.00000000D+00 -0.13166897D-02 0.00000000D+00 0.00000000D+00 -0.10243496D-02 0.69549516D-02 0.00000000D+00 0.00000000D+00 -0.67762283D-03 0.00000000D+00 0.00000000D+00 0.11624249D-02 0.00000000D+00 0.00000000D+00 0.87044356D-03 -0.47373412D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.86922625D-02 0.85008428D-02 0.56168663D-02 0.00000000D+00 0.00000000D+00 0.19166687D-02 0.00000000D+00 0.00000000D+00 0.26221134D-02 0.00000000D+00 0.00000000D+00 0.86451809D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.13963655D-02 -0.93074865D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.19921511D-02 0.15994751D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.14488341D-02 0.15640127D-02 0.00000000D+00 0.00000000D+00 0.78034642D-03 0.00000000D+00 0.00000000D+00 -0.13166897D-02 0.00000000D+00 0.00000000D+00 -0.10243496D-02 -0.69549516D-02 0.00000000D+00 0.00000000D+00 -0.67762283D-03 0.00000000D+00 0.00000000D+00 0.11624249D-02 0.00000000D+00 0.00000000D+00 0.87044356D-03 0.47373412D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.16127937D-01 0.13588910D-01 0.10732230D-01 0.00000000D+00 0.00000000D+00 0.25092677D-02 0.00000000D+00 0.00000000D+00 -0.17268020D-03 0.00000000D+00 0.00000000D+00 -0.21808921D-06 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.11740202D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.20295647D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.32911410D-05 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.20582672D-03 0.00000000D+00 0.00000000D+00 0.34715685D-02 0.00000000D+00 0.00000000D+00 -0.40890487D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.33671811D-05 0.00000000D+00 0.00000000D+00 -0.11601619D-04 0.00000000D+00 0.00000000D+00 0.15000759D-05 0.00000000D+00 0.97505450D-01 0.18175033D+00 0.30810730D+00 0.46651611D+00 0.58324789D+00 0.50169778D+00 0.19241190D+00 0.12993065D-02 0.17200385D-01 0.62474927D-01 0.18533069D+00 0.21355619D+00 -0.25939580D+00 -0.15671220D+00 -0.68132579D-01 0.62629294D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.67090398D-01 -0.65612944D-01 -0.43353247D-01 0.00000000D+00 0.00000000D+00 -0.12252511D-01 0.00000000D+00 0.00000000D+00 0.20757739D-02 0.00000000D+00 0.00000000D+00 0.52727239D-03 -0.59106506D-02 0.80829422D-02 -0.21722916D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.64258798D-03 0.54311862D-03 0.99469361D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.75524492D-04 0.28686814D-04 0.46837679D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.19424766D-02 0.00000000D+00 0.00000000D+00 -0.39615995D-02 0.00000000D+00 0.00000000D+00 -0.18658301D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.41322856D-03 0.00000000D+00 0.00000000D+00 -0.55389682D-03 0.00000000D+00 0.00000000D+00 0.17935825D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.86922625D-02 0.85008428D-02 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ENERGY = -0.894876 -0.38924994D-02 -0.72620437D-02 -0.12397427D-01 -0.19347241D-01 -0.26370740D-01 -0.28615539D-01 -0.20839599D-01 -0.63572833D-02 -0.46151403D-04 -0.13138010D-03 -0.78657972D-03 -0.19423564D-02 -0.51213060D-02 -0.60010468D-02 0.69026267D-02 0.46088994D-02 0.78564127D-03 -0.42754460D-04 -0.16988546D-01 -0.14314033D-01 -0.11304917D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.47003224D-03 0.00000000D+00 0.00000000D+00 0.40084591D-03 0.00000000D+00 0.00000000D+00 0.58704779D-05 0.00000000D+00 0.00000000D+00 -0.13571958D-02 0.48333777D-02 -0.34761819D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.34767129D-03 0.16216022D-03 -0.50983151D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.21248615D-04 -0.14146546D-04 -0.71020692D-05 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.11463406D-02 0.00000000D+00 0.00000000D+00 -0.30549731D-02 0.00000000D+00 0.00000000D+00 -0.38404857D-03 0.00000000D+00 0.00000000D+00 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-0.13905142D-01 -0.91877155D-02 0.00000000D+00 0.00000000D+00 -0.21767892D-02 0.00000000D+00 0.00000000D+00 -0.27159376D-02 0.00000000D+00 0.00000000D+00 -0.27415388D-03 -0.17057735D-02 0.15932669D-02 0.11250666D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.11888111D-02 0.21773519D-03 -0.14065462D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.97594996D-03 0.58360137D-04 -0.10343101D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.12188296D-02 0.00000000D+00 0.00000000D+00 -0.29434953D-02 0.00000000D+00 0.00000000D+00 -0.71299366D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.10266426D-02 0.00000000D+00 0.00000000D+00 0.22182649D-02 0.00000000D+00 0.00000000D+00 0.86166297D-03 0.00000000D+00 -0.67346604D-01 -0.12553419D+00 -0.21280841D+00 -0.32222072D+00 -0.40284686D+00 -0.34652054D+00 -0.13289809D+00 -0.89057778D-03 -0.11789582D-01 -0.42821908D-01 -0.12703038D+00 -0.14637686D+00 0.17779650D+00 0.10735109D+00 0.50113341D-01 0.34870941D-03 -0.29553856D-01 -0.28903025D-01 -0.19097451D-01 -0.59517056D-01 -0.58206381D-01 -0.38459417D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.63198957D-02 -0.12830642D-01 0.00000000D+00 0.11623666D-02 -0.58695169D-03 0.00000000D+00 0.16830174D-03 0.18933349D-03 0.00000000D+00 -0.36763729D-03 0.37849456D-02 -0.34173083D-02 0.10810514D-01 0.00000000D+00 0.00000000D+00 -0.68128506D-03 0.16887033D-02 -0.10074182D-02 0.16835154D-02 0.00000000D+00 0.00000000D+00 -0.37808367D-03 0.49398091D-03 -0.11589724D-03 -0.36141394D-03 0.00000000D+00 0.00000000D+00 0.81945623D-03 0.52710617D-03 0.00000000D+00 -0.31998823D-02 -0.23397889D-02 0.00000000D+00 0.74151362D-03 0.75847037D-03 0.00000000D+00 0.00000000D+00 0.11287921D-03 -0.79585843D-03 0.00000000D+00 -0.82884587D-03 0.10648582D-02 0.00000000D+00 0.49020825D-03 0.13227171D-02 0.00000000D+00 0.00000000D+00 -0.67346604D-01 -0.12553419D+00 -0.21280841D+00 -0.32222072D+00 -0.40284686D+00 -0.34652054D+00 -0.13289809D+00 -0.89057778D-03 -0.11789582D-01 -0.42821908D-01 -0.12703038D+00 -0.14637686D+00 0.17779650D+00 0.10735109D+00 0.50113341D-01 0.34870941D-03 -0.29553856D-01 -0.28903025D-01 -0.19097451D-01 0.59517056D-01 0.58206381D-01 0.38459417D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.63198957D-02 0.12830642D-01 0.00000000D+00 0.11623666D-02 0.58695169D-03 0.00000000D+00 0.16830174D-03 -0.18933349D-03 0.00000000D+00 -0.36763729D-03 0.37849456D-02 -0.34173083D-02 -0.10810514D-01 0.00000000D+00 0.00000000D+00 -0.68128506D-03 0.16887033D-02 -0.10074182D-02 -0.16835154D-02 0.00000000D+00 0.00000000D+00 -0.37808367D-03 0.49398091D-03 -0.11589724D-03 0.36141394D-03 0.00000000D+00 0.00000000D+00 0.81945623D-03 -0.52710617D-03 0.00000000D+00 -0.31998823D-02 0.23397889D-02 0.00000000D+00 0.74151362D-03 -0.75847037D-03 0.00000000D+00 0.00000000D+00 0.11287921D-03 0.79585843D-03 0.00000000D+00 -0.82884587D-03 -0.10648582D-02 0.00000000D+00 0.49020825D-03 -0.13227171D-02 0.00000000D+00 0.00000000D+00 MO 13 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.888412 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.22211622D-01 0.18714838D-01 0.14780579D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.21196283D-02 0.00000000D+00 0.00000000D+00 0.83487576D-04 0.00000000D+00 0.00000000D+00 -0.14317363D-05 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.10310806D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.77843232D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.34249270D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.24759422D-03 0.00000000D+00 0.00000000D+00 0.14200381D-02 0.00000000D+00 0.00000000D+00 -0.21628208D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.11799475D-06 0.00000000D+00 0.00000000D+00 -0.37488942D-04 0.00000000D+00 0.00000000D+00 0.37842927D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.17702223D-01 0.17312387D-01 0.11439026D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.30395150D-02 0.00000000D+00 0.00000000D+00 0.28913773D-02 0.00000000D+00 0.00000000D+00 -0.32893651D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.44322879D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.11627774D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.15845183D-02 0.00000000D+00 0.16560642D-02 0.00000000D+00 0.00000000D+00 -0.32014618D-02 0.00000000D+00 0.00000000D+00 -0.17667307D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.11176574D-02 0.00000000D+00 0.00000000D+00 0.23734316D-02 0.00000000D+00 0.00000000D+00 0.97954059D-03 0.00000000D+00 0.00000000D+00 -0.68705115D-01 -0.12806645D+00 -0.21710117D+00 -0.32872053D+00 -0.41097306D+00 -0.35351053D+00 -0.13557890D+00 -0.91014367D-03 -0.12048598D-01 -0.43762700D-01 -0.12982123D+00 -0.14959274D+00 0.18170266D+00 0.10987187D+00 0.51382671D-01 0.12289410D-02 0.37210681D-01 0.36391233D-01 0.24045226D-01 -0.48446629D-01 -0.47379745D-01 -0.31305801D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.76816963D-02 -0.98810576D-02 0.00000000D+00 0.77996766D-03 0.86597034D-03 0.00000000D+00 -0.17847556D-03 0.39621820D-04 0.00000000D+00 -0.66054504D-03 0.47151109D-02 -0.40545659D-02 -0.10711791D-01 0.00000000D+00 0.00000000D+00 0.34147858D-03 -0.70120124D-05 -0.33446657D-03 -0.25531121D-02 0.00000000D+00 0.00000000D+00 0.42367244D-03 -0.42871911D-03 0.50466701D-05 -0.41402173D-03 0.00000000D+00 0.00000000D+00 -0.67508193D-03 -0.88419886D-03 0.00000000D+00 0.34988330D-02 0.82049364D-03 0.00000000D+00 -0.14735872D-02 0.18321029D-02 0.00000000D+00 0.00000000D+00 -0.12588550D-03 0.43572619D-03 0.00000000D+00 0.69597408D-03 -0.15682772D-02 0.00000000D+00 -0.31831759D-03 0.26109861D-03 0.00000000D+00 0.00000000D+00 0.68705115D-01 0.12806645D+00 0.21710117D+00 0.32872053D+00 0.41097306D+00 0.35351053D+00 0.13557890D+00 0.91014367D-03 0.12048598D-01 0.43762700D-01 0.12982123D+00 0.14959274D+00 -0.18170266D+00 -0.10987187D+00 -0.51382671D-01 -0.12289410D-02 -0.37210681D-01 -0.36391233D-01 -0.24045226D-01 -0.48446629D-01 -0.47379745D-01 -0.31305801D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.76816963D-02 -0.98810576D-02 0.00000000D+00 -0.77996766D-03 0.86597034D-03 0.00000000D+00 0.17847556D-03 0.39621820D-04 0.00000000D+00 0.66054504D-03 -0.47151109D-02 0.40545659D-02 -0.10711791D-01 0.00000000D+00 0.00000000D+00 -0.34147858D-03 0.70120124D-05 0.33446657D-03 -0.25531121D-02 0.00000000D+00 0.00000000D+00 -0.42367244D-03 0.42871911D-03 -0.50466701D-05 -0.41402173D-03 0.00000000D+00 0.00000000D+00 0.67508193D-03 -0.88419886D-03 0.00000000D+00 -0.34988330D-02 0.82049364D-03 0.00000000D+00 0.14735872D-02 0.18321029D-02 0.00000000D+00 0.00000000D+00 0.12588550D-03 0.43572619D-03 0.00000000D+00 -0.69597408D-03 -0.15682772D-02 0.00000000D+00 0.31831759D-03 0.26109861D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.22211622D-01 0.18714838D-01 0.14780579D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.21196283D-02 0.00000000D+00 0.00000000D+00 0.83487576D-04 0.00000000D+00 0.00000000D+00 -0.14317363D-05 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.10310806D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.77843232D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.34249270D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.24759422D-03 0.00000000D+00 0.00000000D+00 0.14200381D-02 0.00000000D+00 0.00000000D+00 -0.21628208D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.11799475D-06 0.00000000D+00 0.00000000D+00 -0.37488942D-04 0.00000000D+00 0.00000000D+00 0.37842927D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.17702223D-01 0.17312387D-01 0.11439026D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.30395150D-02 0.00000000D+00 0.00000000D+00 0.28913773D-02 0.00000000D+00 0.00000000D+00 -0.32893651D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.44322879D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.11627774D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.15845183D-02 0.00000000D+00 0.16560642D-02 0.00000000D+00 0.00000000D+00 -0.32014618D-02 0.00000000D+00 0.00000000D+00 -0.17667307D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.11176574D-02 0.00000000D+00 0.00000000D+00 0.23734316D-02 0.00000000D+00 0.00000000D+00 0.97954059D-03 0.00000000D+00 0.00000000D+00 -0.68705115D-01 -0.12806645D+00 -0.21710117D+00 -0.32872053D+00 -0.41097306D+00 -0.35351053D+00 -0.13557890D+00 -0.91014367D-03 -0.12048598D-01 -0.43762700D-01 -0.12982123D+00 -0.14959274D+00 0.18170266D+00 0.10987187D+00 0.51382671D-01 0.12289410D-02 -0.37210681D-01 -0.36391233D-01 -0.24045226D-01 -0.48446629D-01 -0.47379745D-01 -0.31305801D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.76816963D-02 -0.98810576D-02 0.00000000D+00 -0.77996766D-03 0.86597034D-03 0.00000000D+00 0.17847556D-03 0.39621820D-04 0.00000000D+00 -0.66054504D-03 0.47151109D-02 -0.40545659D-02 0.10711791D-01 0.00000000D+00 0.00000000D+00 0.34147858D-03 -0.70120124D-05 -0.33446657D-03 0.25531121D-02 0.00000000D+00 0.00000000D+00 0.42367244D-03 -0.42871911D-03 0.50466701D-05 0.41402173D-03 0.00000000D+00 0.00000000D+00 0.67508193D-03 -0.88419886D-03 0.00000000D+00 -0.34988330D-02 0.82049364D-03 0.00000000D+00 0.14735872D-02 0.18321029D-02 0.00000000D+00 0.00000000D+00 0.12588550D-03 0.43572619D-03 0.00000000D+00 -0.69597408D-03 -0.15682772D-02 0.00000000D+00 0.31831759D-03 0.26109861D-03 0.00000000D+00 0.00000000D+00 0.68705115D-01 0.12806645D+00 0.21710117D+00 0.32872053D+00 0.41097306D+00 0.35351053D+00 0.13557890D+00 0.91014367D-03 0.12048598D-01 0.43762700D-01 0.12982123D+00 0.14959274D+00 -0.18170266D+00 -0.10987187D+00 -0.51382671D-01 -0.12289410D-02 0.37210681D-01 0.36391233D-01 0.24045226D-01 -0.48446629D-01 -0.47379745D-01 -0.31305801D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.76816963D-02 -0.98810576D-02 0.00000000D+00 0.77996766D-03 0.86597034D-03 0.00000000D+00 -0.17847556D-03 0.39621820D-04 0.00000000D+00 0.66054504D-03 -0.47151109D-02 0.40545659D-02 0.10711791D-01 0.00000000D+00 0.00000000D+00 -0.34147858D-03 0.70120124D-05 0.33446657D-03 0.25531121D-02 0.00000000D+00 0.00000000D+00 -0.42367244D-03 0.42871911D-03 -0.50466701D-05 0.41402173D-03 0.00000000D+00 0.00000000D+00 -0.67508193D-03 -0.88419886D-03 0.00000000D+00 0.34988330D-02 0.82049364D-03 0.00000000D+00 -0.14735872D-02 0.18321029D-02 0.00000000D+00 0.00000000D+00 -0.12588550D-03 0.43572619D-03 0.00000000D+00 0.69597408D-03 -0.15682772D-02 0.00000000D+00 -0.31831759D-03 0.26109861D-03 0.00000000D+00 0.00000000D+00 MO 14 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.888105 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.22027666D-01 0.18559842D-01 0.14658166D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.27299506D-02 0.00000000D+00 0.00000000D+00 0.48456648D-03 0.00000000D+00 0.00000000D+00 0.31228780D-06 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.10202164D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.17432132D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.39112772D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.41952698D-03 0.00000000D+00 0.00000000D+00 0.10824850D-02 0.00000000D+00 0.00000000D+00 -0.23410660D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 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0.00000000D+00 0.00000000D+00 0.00000000D+00 0.75401904D-02 0.99422297D-02 0.00000000D+00 0.61278617D-03 -0.72617867D-03 0.00000000D+00 0.54209115D-05 -0.11665376D-03 0.00000000D+00 0.75752960D-03 -0.46110925D-02 0.38535629D-02 -0.11032000D-01 0.00000000D+00 0.00000000D+00 -0.42481471D-03 -0.53098913D-04 0.47791362D-03 -0.23449076D-02 0.00000000D+00 0.00000000D+00 -0.98790208D-04 0.24967943D-03 -0.15088922D-03 -0.37510998D-03 0.00000000D+00 0.00000000D+00 -0.30461568D-03 0.58179427D-03 0.00000000D+00 0.30567720D-02 0.19276769D-03 0.00000000D+00 -0.21429249D-02 -0.19381505D-02 0.00000000D+00 0.00000000D+00 -0.29965052D-03 -0.27938746D-03 0.00000000D+00 0.90629417D-03 0.10487220D-02 0.00000000D+00 -0.73425918D-05 -0.21055959D-03 0.00000000D+00 0.00000000D+00 -0.68740171D-01 -0.12813180D+00 -0.21721194D+00 -0.32888825D+00 -0.41118276D+00 -0.35369090D+00 -0.13564807D+00 -0.91118966D-03 -0.12062445D-01 -0.43812995D-01 -0.12997042D+00 -0.14976466D+00 0.18191149D+00 0.10994961D+00 0.51400880D-01 0.44410684D-03 -0.36872166D-01 -0.36060173D-01 -0.23826481D-01 0.48342228D-01 0.47277643D-01 0.31238338D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.75401904D-02 0.99422297D-02 0.00000000D+00 -0.61278617D-03 -0.72617867D-03 0.00000000D+00 -0.54209115D-05 -0.11665376D-03 0.00000000D+00 -0.75752960D-03 0.46110925D-02 -0.38535629D-02 -0.11032000D-01 0.00000000D+00 0.00000000D+00 0.42481471D-03 0.53098913D-04 -0.47791362D-03 -0.23449076D-02 0.00000000D+00 0.00000000D+00 0.98790208D-04 -0.24967943D-03 0.15088922D-03 -0.37510998D-03 0.00000000D+00 0.00000000D+00 0.30461568D-03 0.58179427D-03 0.00000000D+00 -0.30567720D-02 0.19276769D-03 0.00000000D+00 0.21429249D-02 -0.19381505D-02 0.00000000D+00 0.00000000D+00 0.29965052D-03 -0.27938746D-03 0.00000000D+00 -0.90629417D-03 0.10487220D-02 0.00000000D+00 0.73425918D-05 -0.21055959D-03 0.00000000D+00 0.00000000D+00 MO 15 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.234844 0.72919028D-02 0.13604142D-01 0.23224367D-01 0.36243602D-01 0.49400873D-01 0.53606105D-01 0.39039268D-01 0.11909235D-01 0.12194682D-03 0.34714839D-03 0.20783960D-02 0.51323290D-02 0.13532134D-01 0.15856691D-01 -0.18238955D-01 -0.10941169D-01 -0.68806161D-03 0.17012667D-03 -0.42400357D-01 -0.35725254D-01 -0.28215040D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.26074955D-02 0.00000000D+00 0.00000000D+00 0.96845976D-03 0.00000000D+00 0.00000000D+00 0.70124715D-05 0.00000000D+00 0.00000000D+00 -0.59967033D-02 0.40399217D-02 0.19567816D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.30004714D-04 -0.52567909D-03 0.49567438D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.21591165D-04 -0.17227669D-04 -0.43634959D-05 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.63942351D-03 0.00000000D+00 0.00000000D+00 0.34732786D-02 0.00000000D+00 0.00000000D+00 -0.15550081D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 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ENERGY = -0.216457 0.11091073D-01 0.20692066D-01 0.35324544D-01 0.55126958D-01 0.75139327D-01 0.81535536D-01 0.59379200D-01 0.18114092D-01 0.18106370D-03 0.51543759D-03 0.30859525D-02 0.76203587D-02 0.20092187D-01 0.23543634D-01 -0.27080761D-01 -0.14539396D-01 0.79631622D-02 0.96666884D-04 -0.89215493D-02 -0.75170266D-02 -0.59367866D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.10117062D-01 0.00000000D+00 0.00000000D+00 0.24641152D-02 0.00000000D+00 0.00000000D+00 0.12952596D-05 0.00000000D+00 0.00000000D+00 0.17025177D-02 0.16306132D-02 -0.33331309D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.45350232D-02 0.31886058D-02 0.13464173D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.13892979D-04 -0.39526107D-05 -0.99403681D-05 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.71190828D-04 0.00000000D+00 0.00000000D+00 0.36923518D-02 0.00000000D+00 0.00000000D+00 -0.34787794D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 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-0.21610402D-01 -0.14193279D-01 -0.10041087D-01 -0.39431144D-02 -0.38288498D+00 -0.37445315D+00 -0.24741703D+00 0.43747432D+00 0.42784033D+00 0.28269220D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.83817361D-01 0.97817276D-01 0.00000000D+00 -0.16512923D-01 0.13834019D-01 0.00000000D+00 -0.62320906D-03 0.15731551D-03 0.00000000D+00 0.60080140D-03 0.32726716D-02 -0.38734730D-02 -0.13327252D-01 0.00000000D+00 0.00000000D+00 -0.77238898D-04 0.16628148D-02 -0.15855759D-02 -0.55597016D-02 0.00000000D+00 0.00000000D+00 0.93512697D-03 -0.91751378D-03 -0.17613189D-04 -0.13526403D-02 0.00000000D+00 0.00000000D+00 0.12204687D-02 0.43533304D-03 0.00000000D+00 -0.22919464D-02 0.20687932D-02 0.00000000D+00 -0.13694599D-02 -0.33747924D-02 0.00000000D+00 0.00000000D+00 0.70940675D-04 -0.31018079D-03 0.00000000D+00 -0.17023482D-02 0.84465884D-03 0.00000000D+00 0.14895261D-02 0.85883524D-04 0.00000000D+00 0.00000000D+00 MO 17 MO 0.0 OCC NO = 2.0000000 ORB. 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ENERGY = -0.158328 0.36252319D-02 0.67634159D-02 0.11546193D-01 0.18018817D-01 0.24560067D-01 0.26650734D-01 0.19408706D-01 0.59207783D-02 0.63821589D-04 0.18168217D-03 0.10877409D-02 0.26860348D-02 0.70821225D-02 0.82986934D-02 -0.95454652D-02 -0.41394929D-02 -0.89835569D-02 -0.13115640D-03 0.57027172D-01 0.48049364D-01 0.37948358D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.87561040D-03 0.00000000D+00 0.00000000D+00 -0.19702005D-02 0.00000000D+00 0.00000000D+00 -0.64958716D-05 0.00000000D+00 0.00000000D+00 -0.14819680D-02 -0.65592963D-02 0.80412643D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.59504065D-03 -0.37418430D-03 -0.22085635D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.70163305D-05 0.88802654D-05 -0.18639349D-05 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.22188599D-02 0.00000000D+00 0.00000000D+00 0.43251345D-02 0.00000000D+00 0.00000000D+00 0.23314453D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 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0.00000000D+00 0.00000000D+00 -0.25755982D-01 0.00000000D+00 0.00000000D+00 -0.26741169D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.21919684D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.44923373D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.33095081D-03 0.00000000D+00 -0.19726226D-02 0.00000000D+00 0.00000000D+00 0.61833864D-02 0.00000000D+00 0.00000000D+00 -0.26551866D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.98734605D-03 0.00000000D+00 0.00000000D+00 -0.85596982D-03 0.00000000D+00 0.00000000D+00 -0.21060683D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.53498664D-02 0.99721601D-02 0.16905033D-01 0.25596506D-01 0.32001271D-01 0.27526831D-01 0.10557132D-01 0.74522866D-04 0.98654320D-03 0.35833044D-02 0.10629805D-01 0.12248703D-01 -0.14877875D-01 -0.95366607D-02 -0.12991194D-01 -0.18173680D-02 0.35541751D-01 0.34759056D-01 0.22966778D-01 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-0.14877875D-01 -0.95366607D-02 -0.12991194D-01 -0.18173680D-02 0.35541751D-01 0.34759056D-01 0.22966778D-01 0.11010189D+01 0.10767724D+01 0.71146905D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.95739168D-02 0.23992669D+00 0.00000000D+00 0.58932046D-02 0.40309786D-01 0.00000000D+00 0.19965115D-03 0.19244100D-02 0.00000000D+00 -0.66482498D-02 0.15031367D-01 -0.83831168D-02 -0.14428840D-01 0.00000000D+00 0.00000000D+00 -0.32902172D-02 0.47487985D-02 -0.14585813D-02 -0.39877296D-03 0.00000000D+00 0.00000000D+00 -0.11586391D-02 0.17083693D-02 -0.54973026D-03 0.18246015D-02 0.00000000D+00 0.00000000D+00 0.19369302D-02 0.10615768D-02 0.00000000D+00 -0.74990137D-02 -0.78704740D-03 0.00000000D+00 0.16882232D-02 -0.23976829D-02 0.00000000D+00 0.00000000D+00 0.19892027D-03 0.16457351D-02 0.00000000D+00 -0.79742570D-03 -0.26908103D-02 0.00000000D+00 0.20066489D-03 -0.22463950D-02 0.00000000D+00 0.00000000D+00 MO 21 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.148754 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.10107821D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.34602928D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.71118819D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.14467909D-02 0.00000000D+00 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0.00000000D+00 0.00000000D+00 -0.25716466D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.25006483D-02 0.00000000D+00 0.00000000D+00 0.34866231D-02 0.00000000D+00 0.00000000D+00 0.40153219D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.44640352D+00 0.43657289D+00 0.28846217D+00 0.00000000D+00 0.00000000D+00 0.98123470D-01 0.00000000D+00 0.00000000D+00 0.18668749D-01 0.00000000D+00 0.00000000D+00 0.69871460D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.83718711D-02 -0.70823944D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.17490833D-02 -0.20279761D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.13679210D-02 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0.00000000D+00 0.00000000D+00 0.00000000D+00 0.10107821D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.34602928D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.71118819D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.14467909D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.24501178D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.16860648D+01 -0.16489345D+01 -0.10895208D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.37149384D+00 0.00000000D+00 0.00000000D+00 -0.69023304D-01 0.00000000D+00 0.00000000D+00 -0.37855305D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.21296760D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.89730820D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.34012912D-02 0.00000000D+00 0.14549589D-03 0.00000000D+00 0.00000000D+00 -0.30081343D-02 0.00000000D+00 0.00000000D+00 0.25716466D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.25006483D-02 0.00000000D+00 0.00000000D+00 -0.34866231D-02 0.00000000D+00 0.00000000D+00 -0.40153219D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.44640352D+00 0.43657289D+00 0.28846217D+00 0.00000000D+00 0.00000000D+00 0.98123470D-01 0.00000000D+00 0.00000000D+00 0.18668749D-01 0.00000000D+00 0.00000000D+00 0.69871460D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.83718711D-02 -0.70823944D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.17490833D-02 -0.20279761D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.13679210D-02 -0.99703569D-03 0.00000000D+00 0.00000000D+00 -0.13562861D-02 0.00000000D+00 0.00000000D+00 0.34237980D-02 0.00000000D+00 0.00000000D+00 0.64506011D-03 0.72152181D-02 0.00000000D+00 0.00000000D+00 0.48471777D-04 0.00000000D+00 0.00000000D+00 -0.59831425D-03 0.00000000D+00 0.00000000D+00 0.45289892D-03 -0.34622397D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.44640352D+00 -0.43657289D+00 -0.28846217D+00 0.00000000D+00 0.00000000D+00 -0.98123470D-01 0.00000000D+00 0.00000000D+00 -0.18668749D-01 0.00000000D+00 0.00000000D+00 -0.69871460D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.83718711D-02 -0.70823944D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.17490833D-02 -0.20279761D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.13679210D-02 -0.99703569D-03 0.00000000D+00 0.00000000D+00 0.13562861D-02 0.00000000D+00 0.00000000D+00 -0.34237980D-02 0.00000000D+00 0.00000000D+00 -0.64506011D-03 0.72152181D-02 0.00000000D+00 0.00000000D+00 -0.48471777D-04 0.00000000D+00 0.00000000D+00 0.59831425D-03 0.00000000D+00 0.00000000D+00 -0.45289892D-03 -0.34622397D-03 MO 22 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.148224 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.67203987D-01 0.56624040D-01 0.44720454D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.62935908D-02 0.00000000D+00 0.00000000D+00 -0.10915272D-02 0.00000000D+00 0.00000000D+00 -0.38988922D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.17521309D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.72723714D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.20523359D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.12311445D-02 0.00000000D+00 0.00000000D+00 0.61155761D-03 0.00000000D+00 0.00000000D+00 -0.43049912D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 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0.00000000D+00 0.00000000D+00 -0.80447161D-03 -0.33004043D-03 0.00000000D+00 0.76229317D-02 -0.34122876D-02 0.00000000D+00 -0.52095169D-02 0.44024088D-02 0.00000000D+00 0.00000000D+00 -0.56642055D-03 0.58847063D-03 0.00000000D+00 0.17438404D-02 -0.23030864D-02 0.00000000D+00 -0.44578740D-04 0.53767452D-03 0.00000000D+00 0.00000000D+00 -0.55107091D-02 -0.10271971D-01 -0.17413280D-01 -0.26366061D-01 -0.32963383D-01 -0.28354420D-01 -0.10874530D-01 -0.72385922D-04 -0.95825407D-03 -0.34805531D-02 -0.10324995D-01 -0.11897472D-01 0.14451251D-01 0.93826097D-02 0.15633220D-01 0.66671837D-03 -0.92854452D+00 -0.90809626D+00 -0.60001759D+00 -0.80808772D+00 -0.79029214D+00 -0.52217943D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.20212769D+00 -0.17469763D+00 0.00000000D+00 -0.33869886D-01 -0.25946301D-01 0.00000000D+00 -0.24609924D-02 -0.12727273D-02 0.00000000D+00 -0.19481911D-02 -0.81474019D-02 0.10095593D-01 -0.30567337D-01 0.00000000D+00 0.00000000D+00 -0.14095434D-02 0.94854055D-04 0.13146894D-02 -0.56899391D-02 0.00000000D+00 0.00000000D+00 -0.36470600D-03 0.48690872D-03 -0.12220271D-03 -0.81609311D-03 0.00000000D+00 0.00000000D+00 0.80447161D-03 -0.33004043D-03 0.00000000D+00 -0.76229317D-02 -0.34122876D-02 0.00000000D+00 0.52095169D-02 0.44024088D-02 0.00000000D+00 0.00000000D+00 0.56642055D-03 0.58847063D-03 0.00000000D+00 -0.17438404D-02 -0.23030864D-02 0.00000000D+00 0.44578740D-04 0.53767452D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.67203987D-01 -0.56624040D-01 -0.44720454D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.62935908D-02 0.00000000D+00 0.00000000D+00 0.10915272D-02 0.00000000D+00 0.00000000D+00 0.38988922D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.17521309D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.72723714D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.20523359D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.12311445D-02 0.00000000D+00 0.00000000D+00 -0.61155761D-03 0.00000000D+00 0.00000000D+00 0.43049912D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.67240526D-04 0.00000000D+00 0.00000000D+00 -0.25897797D-03 0.00000000D+00 0.00000000D+00 0.57256397D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.60140683D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.63586205D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.40121921D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.27492408D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.73728040D-02 -0.55107091D-02 -0.10271971D-01 -0.17413280D-01 -0.26366061D-01 -0.32963383D-01 -0.28354420D-01 -0.10874530D-01 -0.72385922D-04 -0.95825407D-03 -0.34805531D-02 -0.10324995D-01 -0.11897472D-01 0.14451251D-01 0.93826097D-02 0.15633220D-01 0.66671837D-03 0.92854452D+00 0.90809626D+00 0.60001759D+00 0.80808772D+00 0.79029214D+00 0.52217943D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.20212769D+00 0.17469763D+00 0.00000000D+00 0.33869886D-01 0.25946301D-01 0.00000000D+00 0.24609924D-02 0.12727273D-02 0.00000000D+00 -0.19481911D-02 -0.81474019D-02 0.10095593D-01 -0.30567337D-01 0.00000000D+00 0.00000000D+00 -0.14095434D-02 0.94854055D-04 0.13146894D-02 -0.56899391D-02 0.00000000D+00 0.00000000D+00 -0.36470600D-03 0.48690872D-03 -0.12220271D-03 -0.81609311D-03 0.00000000D+00 0.00000000D+00 -0.80447161D-03 0.33004043D-03 0.00000000D+00 0.76229317D-02 0.34122876D-02 0.00000000D+00 -0.52095169D-02 -0.44024088D-02 0.00000000D+00 0.00000000D+00 -0.56642055D-03 -0.58847063D-03 0.00000000D+00 0.17438404D-02 0.23030864D-02 0.00000000D+00 -0.44578740D-04 -0.53767452D-03 0.00000000D+00 0.00000000D+00 0.55107091D-02 0.10271971D-01 0.17413280D-01 0.26366061D-01 0.32963383D-01 0.28354420D-01 0.10874530D-01 0.72385922D-04 0.95825407D-03 0.34805531D-02 0.10324995D-01 0.11897472D-01 -0.14451251D-01 -0.93826097D-02 -0.15633220D-01 -0.66671837D-03 -0.92854452D+00 -0.90809626D+00 -0.60001759D+00 0.80808772D+00 0.79029214D+00 0.52217943D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.20212769D+00 0.17469763D+00 0.00000000D+00 -0.33869886D-01 0.25946301D-01 0.00000000D+00 -0.24609924D-02 0.12727273D-02 0.00000000D+00 0.19481911D-02 0.81474019D-02 -0.10095593D-01 -0.30567337D-01 0.00000000D+00 0.00000000D+00 0.14095434D-02 -0.94854055D-04 -0.13146894D-02 -0.56899391D-02 0.00000000D+00 0.00000000D+00 0.36470600D-03 -0.48690872D-03 0.12220271D-03 -0.81609311D-03 0.00000000D+00 0.00000000D+00 0.80447161D-03 0.33004043D-03 0.00000000D+00 -0.76229317D-02 0.34122876D-02 0.00000000D+00 0.52095169D-02 -0.44024088D-02 0.00000000D+00 0.00000000D+00 0.56642055D-03 -0.58847063D-03 0.00000000D+00 -0.17438404D-02 0.23030864D-02 0.00000000D+00 0.44578740D-04 -0.53767452D-03 0.00000000D+00 0.00000000D+00 MO 23 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.138929 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.40172683D-01 -0.33848283D-01 -0.26732649D-01 0.00000000D+00 0.00000000D+00 -0.47119197D-02 0.00000000D+00 0.00000000D+00 0.35884473D-04 0.00000000D+00 0.00000000D+00 -0.89144580D-05 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.14404650D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.26626121D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.43937875D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.25965400D-03 0.00000000D+00 0.00000000D+00 -0.52206793D-02 0.00000000D+00 0.00000000D+00 0.44417173D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.49086470D-04 0.00000000D+00 0.00000000D+00 0.45807062D-04 0.00000000D+00 0.00000000D+00 0.10145235D-03 0.00000000D+00 -0.53448553D-02 -0.99628195D-02 -0.16889199D-01 -0.25572531D-01 -0.31971296D-01 -0.27501048D-01 -0.10547244D-01 -0.67728039D-04 -0.89659242D-03 -0.32565868D-02 -0.96606034D-02 -0.11131894D-01 0.13521344D-01 0.86688778D-02 0.21965173D-01 0.73755743D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.16715723D+01 0.16347612D+01 0.10801558D+01 0.00000000D+00 0.00000000D+00 0.36339881D+00 0.00000000D+00 0.00000000D+00 0.60145447D-01 0.00000000D+00 0.00000000D+00 0.34721809D-02 -0.29017874D-02 0.12667132D-01 -0.97653441D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.26009548D-02 0.90674311D-03 -0.35076979D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.11887094D-02 0.36603181D-03 -0.15547412D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.54347259D-02 0.00000000D+00 0.00000000D+00 0.13259242D-01 0.00000000D+00 0.00000000D+00 0.30449362D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.29725105D-02 0.00000000D+00 0.00000000D+00 -0.37071545D-02 0.00000000D+00 0.00000000D+00 -0.52103768D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.52269102D+00 -0.51118040D+00 -0.33775850D+00 0.00000000D+00 0.00000000D+00 -0.11569047D+00 0.00000000D+00 0.00000000D+00 -0.23111885D-01 0.00000000D+00 0.00000000D+00 -0.10899983D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.31690394D-02 0.70161333D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.43455859D-02 0.55885437D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.19603261D-02 0.23980960D-02 0.00000000D+00 0.00000000D+00 0.56635143D-06 0.00000000D+00 0.00000000D+00 0.44937211D-03 0.00000000D+00 0.00000000D+00 -0.45107117D-03 -0.52687093D-02 0.00000000D+00 0.00000000D+00 0.10594629D-02 0.00000000D+00 0.00000000D+00 -0.11487912D-02 0.00000000D+00 0.00000000D+00 -0.20295974D-02 0.72727231D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.52269102D+00 -0.51118040D+00 -0.33775850D+00 0.00000000D+00 0.00000000D+00 -0.11569047D+00 0.00000000D+00 0.00000000D+00 -0.23111885D-01 0.00000000D+00 0.00000000D+00 -0.10899983D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.31690394D-02 -0.70161333D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.43455859D-02 -0.55885437D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.19603261D-02 -0.23980960D-02 0.00000000D+00 0.00000000D+00 0.56635143D-06 0.00000000D+00 0.00000000D+00 0.44937211D-03 0.00000000D+00 0.00000000D+00 -0.45107117D-03 0.52687093D-02 0.00000000D+00 0.00000000D+00 0.10594629D-02 0.00000000D+00 0.00000000D+00 -0.11487912D-02 0.00000000D+00 0.00000000D+00 -0.20295974D-02 -0.72727231D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.40172683D-01 -0.33848283D-01 -0.26732649D-01 0.00000000D+00 0.00000000D+00 -0.47119197D-02 0.00000000D+00 0.00000000D+00 0.35884473D-04 0.00000000D+00 0.00000000D+00 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0.00000000D+00 -0.52269102D+00 -0.51118040D+00 -0.33775850D+00 0.00000000D+00 0.00000000D+00 -0.11569047D+00 0.00000000D+00 0.00000000D+00 -0.23111885D-01 0.00000000D+00 0.00000000D+00 -0.10899983D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.31690394D-02 0.70161333D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.43455859D-02 0.55885437D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.19603261D-02 0.23980960D-02 0.00000000D+00 0.00000000D+00 0.56635143D-06 0.00000000D+00 0.00000000D+00 0.44937211D-03 0.00000000D+00 0.00000000D+00 -0.45107117D-03 0.52687093D-02 0.00000000D+00 0.00000000D+00 0.10594629D-02 0.00000000D+00 0.00000000D+00 -0.11487912D-02 0.00000000D+00 0.00000000D+00 -0.20295974D-02 -0.72727231D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 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ENERGY = -0.123206 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.43832040D-01 -0.36931547D-01 -0.29167744D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.74031770D-02 0.00000000D+00 0.00000000D+00 -0.71913089D-03 0.00000000D+00 0.00000000D+00 0.66182161D-05 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.23459750D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.10746354D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.10684174D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.10528470D-02 0.00000000D+00 0.00000000D+00 -0.15885047D-02 0.00000000D+00 0.00000000D+00 0.47470458D-02 0.00000000D+00 0.00000000D+00 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0.61054725D-03 0.00000000D+00 0.00000000D+00 0.83369774D-03 0.16241501D-02 0.00000000D+00 -0.53218551D-02 -0.22714830D-02 0.00000000D+00 0.28207618D-02 -0.26009672D-02 0.00000000D+00 0.00000000D+00 0.63982686D-03 -0.59963843D-03 0.00000000D+00 -0.25436293D-02 0.28836382D-02 0.00000000D+00 0.62414867D-03 -0.10847229D-02 0.00000000D+00 0.00000000D+00 0.18968117D-02 0.35356602D-02 0.59937318D-02 0.90753205D-02 0.11346149D-01 0.97597232D-02 0.37430639D-02 0.22600907D-04 0.29919368D-03 0.10867259D-02 0.32237519D-02 0.37147229D-02 -0.45120843D-02 -0.26243185D-02 -0.12048978D-01 -0.19519791D-02 0.54566593D+00 0.53364936D+00 0.35260470D+00 0.91324626D+00 0.89313489D+00 0.59013199D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.11737922D+00 0.19652646D+00 0.00000000D+00 0.18303763D-01 0.29711969D-01 0.00000000D+00 0.52873931D-03 0.16734858D-02 0.00000000D+00 -0.17162761D-02 0.10727479D-01 -0.90112033D-02 0.23509444D-01 0.00000000D+00 0.00000000D+00 0.45284251D-04 0.32783091D-03 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0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.23459750D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.10746354D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.10684174D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.10528470D-02 0.00000000D+00 0.00000000D+00 -0.15885047D-02 0.00000000D+00 0.00000000D+00 0.47470458D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.19842612D-05 0.00000000D+00 0.00000000D+00 0.14098154D-03 0.00000000D+00 0.00000000D+00 -0.13502875D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.10420732D+01 0.10191248D+01 0.67337885D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.23183689D+00 0.00000000D+00 0.00000000D+00 0.37384845D-01 0.00000000D+00 0.00000000D+00 0.31292984D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.14889150D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.38407479D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.91933598D-03 0.00000000D+00 -0.33652768D-02 0.00000000D+00 0.00000000D+00 0.41832544D-02 0.00000000D+00 0.00000000D+00 0.59125760D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.55696151D-03 0.00000000D+00 0.00000000D+00 -0.13667356D-02 0.00000000D+00 0.00000000D+00 -0.30414895D-03 0.00000000D+00 0.00000000D+00 -0.18968117D-02 -0.35356602D-02 -0.59937318D-02 -0.90753205D-02 -0.11346149D-01 -0.97597232D-02 -0.37430639D-02 -0.22600907D-04 -0.29919368D-03 -0.10867259D-02 -0.32237519D-02 -0.37147229D-02 0.45120843D-02 0.26243185D-02 0.12048978D-01 0.19519791D-02 0.54566593D+00 0.53364936D+00 0.35260470D+00 0.91324626D+00 0.89313489D+00 0.59013199D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.11737922D+00 0.19652646D+00 0.00000000D+00 0.18303763D-01 0.29711969D-01 0.00000000D+00 0.52873931D-03 0.16734858D-02 0.00000000D+00 0.17162761D-02 -0.10727479D-01 0.90112033D-02 -0.23509444D-01 0.00000000D+00 0.00000000D+00 -0.45284251D-04 -0.32783091D-03 0.37311516D-03 -0.33019916D-02 0.00000000D+00 0.00000000D+00 -0.39676874D-03 0.32501119D-03 0.71757545D-04 -0.61054725D-03 0.00000000D+00 0.00000000D+00 -0.83369774D-03 0.16241501D-02 0.00000000D+00 0.53218551D-02 -0.22714830D-02 0.00000000D+00 -0.28207618D-02 -0.26009672D-02 0.00000000D+00 0.00000000D+00 -0.63982686D-03 -0.59963843D-03 0.00000000D+00 0.25436293D-02 0.28836382D-02 0.00000000D+00 -0.62414867D-03 -0.10847229D-02 0.00000000D+00 0.00000000D+00 0.18968117D-02 0.35356602D-02 0.59937318D-02 0.90753205D-02 0.11346149D-01 0.97597232D-02 0.37430639D-02 0.22600907D-04 0.29919368D-03 0.10867259D-02 0.32237519D-02 0.37147229D-02 -0.45120843D-02 -0.26243185D-02 -0.12048978D-01 -0.19519791D-02 -0.54566593D+00 -0.53364936D+00 -0.35260470D+00 0.91324626D+00 0.89313489D+00 0.59013199D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.11737922D+00 0.19652646D+00 0.00000000D+00 -0.18303763D-01 0.29711969D-01 0.00000000D+00 -0.52873931D-03 0.16734858D-02 0.00000000D+00 -0.17162761D-02 0.10727479D-01 -0.90112033D-02 -0.23509444D-01 0.00000000D+00 0.00000000D+00 0.45284251D-04 0.32783091D-03 -0.37311516D-03 -0.33019916D-02 0.00000000D+00 0.00000000D+00 0.39676874D-03 -0.32501119D-03 -0.71757545D-04 -0.61054725D-03 0.00000000D+00 0.00000000D+00 0.83369774D-03 0.16241501D-02 0.00000000D+00 -0.53218551D-02 -0.22714830D-02 0.00000000D+00 0.28207618D-02 -0.26009672D-02 0.00000000D+00 0.00000000D+00 0.63982686D-03 -0.59963843D-03 0.00000000D+00 -0.25436293D-02 0.28836382D-02 0.00000000D+00 0.62414867D-03 -0.10847229D-02 0.00000000D+00 0.00000000D+00 MO 25 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.119374 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.10743202D-01 0.90518956D-02 0.71489932D-02 0.00000000D+00 0.00000000D+00 -0.38092891D-02 0.00000000D+00 0.00000000D+00 -0.98594742D-04 0.00000000D+00 0.00000000D+00 0.80907461D-05 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.15931540D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.26730649D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.42443114D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.31059407D-03 0.00000000D+00 0.00000000D+00 -0.37494943D-02 0.00000000D+00 0.00000000D+00 0.46812765D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.40165695D-04 0.00000000D+00 0.00000000D+00 0.13335256D-04 0.00000000D+00 0.00000000D+00 -0.13383234D-03 0.00000000D+00 0.38844575D-02 0.72406355D-02 0.12274490D-01 0.18585238D-01 0.23235641D-01 0.19986818D-01 0.76653749D-02 0.68032356D-04 0.90062101D-03 0.32712194D-02 0.97040107D-02 0.11181912D-01 -0.13582098D-01 -0.90928890D-02 0.87025699D-02 0.38201465D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.82186242D+00 0.80376349D+00 0.53108052D+00 0.00000000D+00 0.00000000D+00 0.17605924D+00 0.00000000D+00 0.00000000D+00 0.26030973D-01 0.00000000D+00 0.00000000D+00 0.30087231D-03 0.19624340D-02 0.68751151D-02 -0.88375491D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.37279914D-02 -0.14572026D-02 -0.22707889D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.12173974D-02 0.61990136D-04 -0.12793875D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.51064803D-03 0.00000000D+00 0.00000000D+00 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ENERGY = -0.109770 -0.14445317D-02 -0.26949913D-02 -0.46007654D-02 -0.71798860D-02 -0.97863519D-02 -0.10619412D-01 -0.77337098D-02 -0.23592289D-02 -0.27239976D-04 -0.77544574D-04 -0.46426352D-03 -0.11464384D-02 -0.30227521D-02 -0.35420022D-02 0.40741424D-02 0.17317517D-02 0.43254263D-02 -0.38003969D-03 -0.12774589D-01 -0.10763481D-01 -0.85007664D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.32177319D-02 0.00000000D+00 0.00000000D+00 -0.75382490D-03 0.00000000D+00 0.00000000D+00 0.22798364D-05 0.00000000D+00 0.00000000D+00 -0.47430635D-02 0.10948906D-01 -0.62058426D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.13022431D-02 -0.10820760D-02 -0.22016702D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.24401404D-04 -0.61404265D-05 -0.18260978D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.15380717D-02 0.00000000D+00 0.00000000D+00 -0.27221588D-02 0.00000000D+00 0.00000000D+00 -0.18920563D-02 0.00000000D+00 0.00000000D+00 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-0.49530394D-03 -0.53351204D-03 0.61584341D-02 0.31214022D-02 0.11978596D+01 0.11714805D+01 0.77404669D+00 0.11908091D+00 0.11645853D+00 0.76949076D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.26098272D+00 0.29464959D-01 0.00000000D+00 0.46287026D-01 0.70505335D-02 0.00000000D+00 0.29591585D-02 0.15140943D-03 0.00000000D+00 -0.74544863D-02 0.30719428D-02 0.43825435D-02 0.19759128D-01 0.00000000D+00 0.00000000D+00 -0.16013647D-02 0.14198854D-02 0.18147930D-03 0.29269183D-02 0.00000000D+00 0.00000000D+00 -0.84579645D-03 0.36997554D-03 0.47582091D-03 0.64557384D-03 0.00000000D+00 0.00000000D+00 -0.56218135D-03 0.23246561D-02 0.00000000D+00 0.29259987D-02 -0.48484359D-02 0.00000000D+00 -0.12394547D-02 -0.21255325D-02 0.00000000D+00 0.00000000D+00 0.15664103D-03 -0.21762564D-04 0.00000000D+00 0.71986636D-03 -0.19302590D-02 0.00000000D+00 -0.11897894D-02 0.19955467D-02 0.00000000D+00 0.00000000D+00 MO 28 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.104382 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.91812158D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.35724153D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.12049506D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.34579752D-02 0.00000000D+00 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-0.82600603D+00 0.00000000D+00 0.00000000D+00 -0.28123233D+00 0.00000000D+00 0.00000000D+00 -0.51754540D-01 0.00000000D+00 0.00000000D+00 -0.32617764D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.11100885D-01 0.15779040D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.29110058D-02 0.49390677D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.18151150D-02 0.18234884D-02 0.00000000D+00 0.00000000D+00 0.42106010D-03 0.00000000D+00 0.00000000D+00 0.10755927D-02 0.00000000D+00 0.00000000D+00 -0.23387730D-02 -0.23215348D-02 0.00000000D+00 0.00000000D+00 0.90542891D-03 0.00000000D+00 0.00000000D+00 -0.10466185D-02 0.00000000D+00 0.00000000D+00 -0.16696682D-02 -0.50213568D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.12782681D+01 0.12501183D+01 0.82600603D+00 0.00000000D+00 0.00000000D+00 0.28123233D+00 0.00000000D+00 0.00000000D+00 0.51754540D-01 0.00000000D+00 0.00000000D+00 0.32617764D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.11100885D-01 0.15779040D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.29110058D-02 0.49390677D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.18151150D-02 0.18234884D-02 0.00000000D+00 0.00000000D+00 -0.42106010D-03 0.00000000D+00 0.00000000D+00 -0.10755927D-02 0.00000000D+00 0.00000000D+00 0.23387730D-02 -0.23215348D-02 0.00000000D+00 0.00000000D+00 -0.90542891D-03 0.00000000D+00 0.00000000D+00 0.10466185D-02 0.00000000D+00 0.00000000D+00 0.16696682D-02 -0.50213568D-02 MO 29 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.103962 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.35615191D-03 0.30008279D-03 0.23699896D-03 0.00000000D+00 0.00000000D+00 -0.22447161D-02 0.00000000D+00 0.00000000D+00 0.58945819D-03 0.00000000D+00 0.00000000D+00 0.35411384D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.14959753D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.19487600D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.10625011D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.82595339D-03 0.00000000D+00 0.00000000D+00 -0.26221445D-02 0.00000000D+00 0.00000000D+00 0.51000046D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.38199532D-04 0.00000000D+00 0.00000000D+00 -0.29852481D-04 0.00000000D+00 0.00000000D+00 -0.84746115D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.80654791D+00 0.78878624D+00 0.52118442D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.17259992D+00 0.00000000D+00 0.00000000D+00 0.26287790D-01 0.00000000D+00 0.00000000D+00 0.23961258D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.24577244D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.38401644D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.62158486D-03 0.00000000D+00 0.86727287D-03 0.00000000D+00 0.00000000D+00 -0.24702176D-02 0.00000000D+00 0.00000000D+00 -0.13160096D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.36262836D-03 0.00000000D+00 0.00000000D+00 -0.91270528D-03 0.00000000D+00 0.00000000D+00 -0.17517981D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.11632854D+01 0.11376677D+01 0.75170514D+00 0.00000000D+00 0.00000000D+00 0.25697423D+00 0.00000000D+00 0.00000000D+00 0.43920798D-01 0.00000000D+00 0.00000000D+00 0.26947174D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.88447196D-02 -0.15635774D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.14051036D-02 -0.50337329D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.50341318D-03 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0.50337329D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.50341318D-03 0.13996344D-03 0.00000000D+00 0.00000000D+00 -0.13781406D-02 0.00000000D+00 0.00000000D+00 0.10457986D-02 0.00000000D+00 0.00000000D+00 0.30886232D-02 0.71547550D-02 0.00000000D+00 0.00000000D+00 -0.30715337D-03 0.00000000D+00 0.00000000D+00 -0.70225965D-03 0.00000000D+00 0.00000000D+00 0.16237197D-02 0.87501312D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.35615191D-03 -0.30008279D-03 -0.23699896D-03 0.00000000D+00 0.00000000D+00 0.22447161D-02 0.00000000D+00 0.00000000D+00 -0.58945819D-03 0.00000000D+00 0.00000000D+00 -0.35411384D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.14959753D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.19487600D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.10625011D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.82595339D-03 0.00000000D+00 0.00000000D+00 0.26221445D-02 0.00000000D+00 0.00000000D+00 -0.51000046D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.38199532D-04 0.00000000D+00 0.00000000D+00 0.29852481D-04 0.00000000D+00 0.00000000D+00 0.84746115D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.80654791D+00 -0.78878624D+00 -0.52118442D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.17259992D+00 0.00000000D+00 0.00000000D+00 -0.26287790D-01 0.00000000D+00 0.00000000D+00 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0.00000000D+00 0.00000000D+00 -0.25697423D+00 0.00000000D+00 0.00000000D+00 -0.43920798D-01 0.00000000D+00 0.00000000D+00 -0.26947174D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.88447196D-02 0.15635774D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.14051036D-02 0.50337329D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.50341318D-03 0.13996344D-03 0.00000000D+00 0.00000000D+00 0.13781406D-02 0.00000000D+00 0.00000000D+00 -0.10457986D-02 0.00000000D+00 0.00000000D+00 -0.30886232D-02 -0.71547550D-02 0.00000000D+00 0.00000000D+00 0.30715337D-03 0.00000000D+00 0.00000000D+00 0.70225965D-03 0.00000000D+00 0.00000000D+00 -0.16237197D-02 -0.87501312D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.11632854D+01 -0.11376677D+01 -0.75170514D+00 0.00000000D+00 0.00000000D+00 -0.25697423D+00 0.00000000D+00 0.00000000D+00 -0.43920798D-01 0.00000000D+00 0.00000000D+00 -0.26947174D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.88447196D-02 -0.15635774D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.14051036D-02 -0.50337329D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.50341318D-03 -0.13996344D-03 0.00000000D+00 0.00000000D+00 0.13781406D-02 0.00000000D+00 0.00000000D+00 -0.10457986D-02 0.00000000D+00 0.00000000D+00 -0.30886232D-02 0.71547550D-02 0.00000000D+00 0.00000000D+00 0.30715337D-03 0.00000000D+00 0.00000000D+00 0.70225965D-03 0.00000000D+00 0.00000000D+00 -0.16237197D-02 0.87501312D-03 MO 30 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.096719 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.56830045D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.14874518D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.33462556D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.52485594D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.16449408D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.73257467D+00 -0.71644203D+00 -0.47338354D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.16297538D+00 0.00000000D+00 0.00000000D+00 -0.26833403D-01 0.00000000D+00 0.00000000D+00 -0.18300564D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.76649185D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.34221082D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.35802959D-04 0.00000000D+00 -0.10820162D-02 0.00000000D+00 0.00000000D+00 0.28878613D-02 0.00000000D+00 0.00000000D+00 0.35818723D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.12092866D-02 0.00000000D+00 0.00000000D+00 -0.18406007D-02 0.00000000D+00 0.00000000D+00 -0.17872590D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.11993871D+01 0.11729743D+01 0.77503374D+00 0.00000000D+00 0.00000000D+00 0.26443093D+00 0.00000000D+00 0.00000000D+00 0.47340957D-01 0.00000000D+00 0.00000000D+00 0.29730632D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.80233376D-02 -0.14011470D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.26873045D-02 -0.45967529D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.84813266D-03 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0.00000000D+00 0.00000000D+00 0.00000000D+00 0.56830045D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.14874518D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.33462556D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.52485594D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.16449408D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.73257467D+00 0.71644203D+00 0.47338354D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.16297538D+00 0.00000000D+00 0.00000000D+00 0.26833403D-01 0.00000000D+00 0.00000000D+00 0.18300564D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.76649185D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.34221082D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.35802959D-04 0.00000000D+00 0.10820162D-02 0.00000000D+00 0.00000000D+00 -0.28878613D-02 0.00000000D+00 0.00000000D+00 -0.35818723D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.12092866D-02 0.00000000D+00 0.00000000D+00 0.18406007D-02 0.00000000D+00 0.00000000D+00 0.17872590D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.11993871D+01 0.11729743D+01 0.77503374D+00 0.00000000D+00 0.00000000D+00 0.26443093D+00 0.00000000D+00 0.00000000D+00 0.47340957D-01 0.00000000D+00 0.00000000D+00 0.29730632D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.80233376D-02 -0.14011470D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.26873045D-02 -0.45967529D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.84813266D-03 -0.92765319D-03 0.00000000D+00 0.00000000D+00 -0.11934019D-03 0.00000000D+00 0.00000000D+00 -0.25604576D-02 0.00000000D+00 0.00000000D+00 0.29184782D-02 0.73697549D-03 0.00000000D+00 0.00000000D+00 -0.87414091D-03 0.00000000D+00 0.00000000D+00 0.13533750D-02 0.00000000D+00 0.00000000D+00 0.12690477D-02 0.48994613D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.11993871D+01 -0.11729743D+01 -0.77503374D+00 0.00000000D+00 0.00000000D+00 -0.26443093D+00 0.00000000D+00 0.00000000D+00 -0.47340957D-01 0.00000000D+00 0.00000000D+00 -0.29730632D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.80233376D-02 -0.14011470D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.26873045D-02 -0.45967529D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.84813266D-03 -0.92765319D-03 0.00000000D+00 0.00000000D+00 0.11934019D-03 0.00000000D+00 0.00000000D+00 0.25604576D-02 0.00000000D+00 0.00000000D+00 -0.29184782D-02 0.73697549D-03 0.00000000D+00 0.00000000D+00 0.87414091D-03 0.00000000D+00 0.00000000D+00 -0.13533750D-02 0.00000000D+00 0.00000000D+00 -0.12690477D-02 0.48994613D-02 MO 31 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.092232 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.77359061D-02 -0.65180396D-02 -0.51478081D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.26307462D-02 0.00000000D+00 0.00000000D+00 -0.55604415D-04 0.00000000D+00 0.00000000D+00 0.57607929D-05 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.15253841D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.54780989D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.15187323D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.16228613D-02 0.00000000D+00 0.00000000D+00 -0.54009933D-02 0.00000000D+00 0.00000000D+00 0.53240927D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.50511370D-04 0.00000000D+00 0.00000000D+00 -0.14831593D-03 0.00000000D+00 0.00000000D+00 -0.32181781D-05 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.26930313D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.15140806D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.10680016D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.42780239D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.56036823D-03 0.39546304D-03 0.73714378D-03 0.12496229D-02 0.18920981D-02 0.23655394D-02 0.20347881D-02 0.78038502D-03 0.46236217D-05 0.61208094D-04 0.22231893D-03 0.65950493D-03 0.75994622D-03 -0.92306788D-03 -0.91150522D-03 -0.19673491D-03 -0.61862067D-03 0.84506628D+00 0.82645637D+00 0.54607467D+00 0.99698243D+00 0.97502705D+00 0.64424159D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.18679804D+00 0.21750935D+00 0.00000000D+00 0.33317855D-01 0.37000677D-01 0.00000000D+00 0.16364665D-02 0.21442829D-02 0.00000000D+00 0.95960340D-02 -0.11670430D-01 0.20743958D-02 0.13415982D-02 0.00000000D+00 0.00000000D+00 0.12225637D-02 -0.13550330D-02 0.13246928D-03 -0.11070958D-02 0.00000000D+00 0.00000000D+00 0.44061997D-03 -0.10531946D-03 -0.33530051D-03 -0.33993296D-03 0.00000000D+00 0.00000000D+00 0.93977913D-03 0.12048542D-02 0.00000000D+00 -0.29593841D-02 -0.41267844D-02 0.00000000D+00 0.14004669D-03 0.51222193D-03 0.00000000D+00 0.00000000D+00 0.33716250D-03 0.81309320D-03 0.00000000D+00 -0.87832315D-03 -0.13138671D-02 0.00000000D+00 -0.13316435D-03 -0.11254125D-02 0.00000000D+00 0.00000000D+00 -0.39546304D-03 -0.73714378D-03 -0.12496229D-02 -0.18920981D-02 -0.23655394D-02 -0.20347881D-02 -0.78038502D-03 -0.46236217D-05 -0.61208094D-04 -0.22231893D-03 -0.65950493D-03 -0.75994622D-03 0.92306788D-03 0.91150522D-03 0.19673491D-03 0.61862067D-03 -0.84506628D+00 -0.82645637D+00 -0.54607467D+00 0.99698243D+00 0.97502705D+00 0.64424159D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.18679804D+00 0.21750935D+00 0.00000000D+00 -0.33317855D-01 0.37000677D-01 0.00000000D+00 -0.16364665D-02 0.21442829D-02 0.00000000D+00 -0.95960340D-02 0.11670430D-01 -0.20743958D-02 0.13415982D-02 0.00000000D+00 0.00000000D+00 -0.12225637D-02 0.13550330D-02 -0.13246928D-03 -0.11070958D-02 0.00000000D+00 0.00000000D+00 -0.44061997D-03 0.10531946D-03 0.33530051D-03 -0.33993296D-03 0.00000000D+00 0.00000000D+00 -0.93977913D-03 0.12048542D-02 0.00000000D+00 0.29593841D-02 -0.41267844D-02 0.00000000D+00 -0.14004669D-03 0.51222193D-03 0.00000000D+00 0.00000000D+00 -0.33716250D-03 0.81309320D-03 0.00000000D+00 0.87832315D-03 -0.13138671D-02 0.00000000D+00 0.13316435D-03 -0.11254125D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.77359061D-02 0.65180396D-02 0.51478081D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.26307462D-02 0.00000000D+00 0.00000000D+00 0.55604415D-04 0.00000000D+00 0.00000000D+00 -0.57607929D-05 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.15253841D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.54780989D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.15187323D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.16228613D-02 0.00000000D+00 0.00000000D+00 0.54009933D-02 0.00000000D+00 0.00000000D+00 -0.53240927D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.50511370D-04 0.00000000D+00 0.00000000D+00 0.14831593D-03 0.00000000D+00 0.00000000D+00 0.32181781D-05 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.26930313D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.15140806D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.10680016D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.42780239D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.56036823D-03 -0.39546304D-03 -0.73714378D-03 -0.12496229D-02 -0.18920981D-02 -0.23655394D-02 -0.20347881D-02 -0.78038502D-03 -0.46236217D-05 -0.61208094D-04 -0.22231893D-03 -0.65950493D-03 -0.75994622D-03 0.92306788D-03 0.91150522D-03 0.19673491D-03 0.61862067D-03 0.84506628D+00 0.82645637D+00 0.54607467D+00 -0.99698243D+00 -0.97502705D+00 -0.64424159D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.18679804D+00 -0.21750935D+00 0.00000000D+00 0.33317855D-01 -0.37000677D-01 0.00000000D+00 0.16364665D-02 -0.21442829D-02 0.00000000D+00 -0.95960340D-02 0.11670430D-01 -0.20743958D-02 0.13415982D-02 0.00000000D+00 0.00000000D+00 -0.12225637D-02 0.13550330D-02 -0.13246928D-03 -0.11070958D-02 0.00000000D+00 0.00000000D+00 -0.44061997D-03 0.10531946D-03 0.33530051D-03 -0.33993296D-03 0.00000000D+00 0.00000000D+00 0.93977913D-03 -0.12048542D-02 0.00000000D+00 -0.29593841D-02 0.41267844D-02 0.00000000D+00 0.14004669D-03 -0.51222193D-03 0.00000000D+00 0.00000000D+00 0.33716250D-03 -0.81309320D-03 0.00000000D+00 -0.87832315D-03 0.13138671D-02 0.00000000D+00 -0.13316435D-03 0.11254125D-02 0.00000000D+00 0.00000000D+00 0.39546304D-03 0.73714378D-03 0.12496229D-02 0.18920981D-02 0.23655394D-02 0.20347881D-02 0.78038502D-03 0.46236217D-05 0.61208094D-04 0.22231893D-03 0.65950493D-03 0.75994622D-03 -0.92306788D-03 -0.91150522D-03 -0.19673491D-03 -0.61862067D-03 -0.84506628D+00 -0.82645637D+00 -0.54607467D+00 -0.99698243D+00 -0.97502705D+00 -0.64424159D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.18679804D+00 -0.21750935D+00 0.00000000D+00 -0.33317855D-01 -0.37000677D-01 0.00000000D+00 -0.16364665D-02 -0.21442829D-02 0.00000000D+00 0.95960340D-02 -0.11670430D-01 0.20743958D-02 0.13415982D-02 0.00000000D+00 0.00000000D+00 0.12225637D-02 -0.13550330D-02 0.13246928D-03 -0.11070958D-02 0.00000000D+00 0.00000000D+00 0.44061997D-03 -0.10531946D-03 -0.33530051D-03 -0.33993296D-03 0.00000000D+00 0.00000000D+00 -0.93977913D-03 -0.12048542D-02 0.00000000D+00 0.29593841D-02 0.41267844D-02 0.00000000D+00 -0.14004669D-03 -0.51222193D-03 0.00000000D+00 0.00000000D+00 -0.33716250D-03 -0.81309320D-03 0.00000000D+00 0.87832315D-03 0.13138671D-02 0.00000000D+00 0.13316435D-03 0.11254125D-02 0.00000000D+00 0.00000000D+00 MO 32 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.090355 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.31175055D-02 -0.26267155D-02 -0.20745236D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.21715057D-02 0.00000000D+00 0.00000000D+00 -0.48534414D-03 0.00000000D+00 0.00000000D+00 -0.75236562D-07 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.65017105D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.68088003D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.10543200D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.11973828D-02 0.00000000D+00 0.00000000D+00 -0.33906672D-02 0.00000000D+00 0.00000000D+00 -0.20148128D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.16620805D-03 0.00000000D+00 0.00000000D+00 0.47945064D-03 0.00000000D+00 0.00000000D+00 0.19173521D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.51628588D+00 -0.50491631D+00 -0.33361956D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.11334665D+00 0.00000000D+00 0.00000000D+00 -0.21092630D-01 0.00000000D+00 0.00000000D+00 -0.86237288D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.48130625D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.22237125D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.16861936D-04 0.00000000D+00 -0.33467893D-03 0.00000000D+00 0.00000000D+00 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0.74847159D-03 0.55974651D-03 -0.16425320D-02 0.69054729D-03 0.95111112D+00 0.93016590D+00 0.61459994D+00 0.82956456D+00 0.81129602D+00 0.53605759D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.21002930D+00 0.18138071D+00 0.00000000D+00 0.38167005D-01 0.31921752D-01 0.00000000D+00 0.31202281D-02 0.25279630D-02 0.00000000D+00 -0.68597629D-02 0.78220676D-02 -0.96230471D-03 0.22306397D-02 0.00000000D+00 0.00000000D+00 -0.27917986D-02 0.24751160D-02 0.31668260D-03 0.15305015D-02 0.00000000D+00 0.00000000D+00 -0.59116828D-05 0.13438077D-03 -0.12846909D-03 0.38561980D-03 0.00000000D+00 0.00000000D+00 0.12853475D-02 -0.84529392D-04 0.00000000D+00 -0.23871021D-02 -0.14211048D-02 0.00000000D+00 -0.14689405D-02 0.16746930D-02 0.00000000D+00 0.00000000D+00 0.10859309D-03 0.14808321D-02 0.00000000D+00 -0.42384111D-03 -0.30837807D-02 0.00000000D+00 0.98061834D-04 -0.13587155D-02 0.00000000D+00 0.00000000D+00 END DATA TOTAL ENERGY = -629.165966264767 THE VIRIAL(-V/T)= 2.00443333