Be2F6_dianion_water SP in water GAUSSIAN 32 MOL ORBITALS 580 PRIMITIVES 8 NUCLEI Be 1 (CENTRE 1) 0.00000000 2.18357872 -0.01230685 CHARGE = 4.0 F 2 (CENTRE 2) -2.18895806 0.00000000 -0.08309800 CHARGE = 9.0 F 3 (CENTRE 3) 0.00000000 3.57536322 2.47798904 CHARGE = 9.0 F 4 (CENTRE 4) 0.00000000 3.75701504 -2.38942133 CHARGE = 9.0 Be 5 (CENTRE 5) 0.00000000 -2.18357872 -0.01230685 CHARGE = 4.0 F 6 (CENTRE 6) 2.18895806 0.00000000 -0.08309800 CHARGE = 9.0 F 7 (CENTRE 7) 0.00000000 -3.57536322 2.47798904 CHARGE = 9.0 F 8 (CENTRE 8) 0.00000000 -3.75701504 -2.38942133 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 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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 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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. 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5 MO 0.0 OCC NO = 2.0000000 ORB. 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0.15804243D-04 -0.19196607D-04 0.32625846D-03 0.26546065D-04 -0.22559108D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.42422414D-04 -0.41488195D-04 -0.27413004D-04 -0.40221217D-04 -0.39335472D-04 -0.25990609D-04 0.00000000D+00 0.62067809D-04 0.23039503D-04 0.00000000D+00 -0.12131360D-03 0.31739674D-04 0.00000000D+00 -0.30201863D-05 -0.65565056D-05 0.69372121D-04 0.49035118D-04 -0.11840724D-03 0.00000000D+00 0.00000000D+00 0.10534669D-03 -0.31976800D-04 -0.13917301D-04 0.45894101D-04 0.00000000D+00 0.00000000D+00 -0.26629705D-04 0.76718711D-05 -0.39400400D-04 0.31728529D-04 0.00000000D+00 0.00000000D+00 -0.68254396D-04 0.00000000D+00 -0.32983528D-04 -0.13254866D-03 0.00000000D+00 -0.38257967D-04 0.13820702D-04 0.00000000D+00 0.13720855D-03 0.38382528D-03 0.00000000D+00 0.00000000D+00 0.12489562D-04 0.59855801D-04 0.00000000D+00 0.14552147D-04 -0.23319336D-04 0.00000000D+00 -0.52020833D-04 -0.15624807D-03 0.00000000D+00 MO 7 MO 0.0 OCC NO = 2.0000000 ORB. 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8 MO 0.0 OCC NO = 2.0000000 ORB. 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0.17220739D-02 -0.20917153D-02 -0.42822825D-03 0.33067109D-02 0.13684533D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.25918582D-02 -0.25347807D-02 -0.16748368D-02 -0.41001957D-02 -0.40099018D-02 -0.26495117D-02 0.00000000D+00 -0.67907076D-03 -0.79529611D-03 0.00000000D+00 0.22568290D-02 0.32047839D-02 0.00000000D+00 0.35560701D-03 0.11480521D-03 0.11702934D-02 0.40071546D-03 -0.15710089D-02 0.00000000D+00 0.00000000D+00 -0.45803274D-02 -0.98809379D-04 -0.19625383D-03 0.29506321D-03 0.00000000D+00 0.00000000D+00 0.10159155D-02 -0.53126757D-03 0.34037732D-04 0.49722983D-03 0.00000000D+00 0.00000000D+00 0.11570581D-02 0.00000000D+00 0.79686130D-03 -0.33272695D-03 0.00000000D+00 0.54506810D-03 0.18481000D-02 0.00000000D+00 -0.29356520D-02 -0.84991916D-03 0.00000000D+00 0.00000000D+00 -0.31990820D-03 0.13069609D-03 0.00000000D+00 -0.19029825D-03 -0.71807271D-03 0.00000000D+00 0.11500228D-02 0.32598444D-03 0.00000000D+00 MO 9 MO 0.0 OCC NO = 2.0000000 ORB. 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-0.56169030D-01 -0.21542032D-01 -0.14313610D-03 -0.18948539D-02 -0.68824541D-02 -0.20416670D-01 -0.23526089D-01 0.28575939D-01 0.16903031D-01 0.73359933D-02 -0.68485551D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.17356578D-01 0.16974354D-01 0.11215673D-01 0.12842083D-01 0.12559276D-01 0.82984449D-02 0.00000000D+00 0.42272515D-02 0.38036329D-02 0.00000000D+00 0.13219642D-02 -0.86389487D-03 0.00000000D+00 0.59307000D-04 -0.17600314D-03 -0.22422987D-03 -0.15960140D-03 0.38383127D-03 0.00000000D+00 0.00000000D+00 0.11627869D-02 -0.61287178D-03 0.59615562D-03 0.16716160D-04 0.00000000D+00 0.00000000D+00 0.18765517D-02 0.28665528D-04 0.47965249D-03 -0.50831802D-03 0.00000000D+00 0.00000000D+00 0.65891198D-03 0.00000000D+00 -0.44013069D-03 0.60937569D-03 0.00000000D+00 0.15823200D-02 -0.15334632D-02 0.00000000D+00 -0.26192797D-03 -0.29466389D-03 0.00000000D+00 0.00000000D+00 0.13670756D-03 -0.48392913D-03 0.00000000D+00 -0.97374334D-03 0.36034038D-03 0.00000000D+00 0.56362065D-03 0.10914470D-02 0.00000000D+00 MO 10 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -1.255895 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.17028096D-01 -0.14347357D-01 -0.11331235D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.26215975D-02 0.00000000D+00 0.00000000D+00 0.16884474D-03 0.00000000D+00 0.00000000D+00 0.43683911D-06 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.12458145D-01 0.38554031D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.21646774D-02 0.60167783D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.26328213D-05 -0.66878532D-06 0.00000000D+00 -0.24520163D-03 0.00000000D+00 0.00000000D+00 -0.36575842D-02 0.00000000D+00 0.00000000D+00 0.43931891D-02 0.00000000D+00 0.00000000D+00 -0.59780984D-03 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0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.23464981D-02 0.00000000D+00 0.00000000D+00 -0.28751910D-02 0.00000000D+00 0.00000000D+00 -0.91796210D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.12485366D-02 -0.10772234D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.21033194D-02 0.19801852D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.14211955D-02 0.17679586D-02 0.00000000D+00 -0.64379825D-03 0.00000000D+00 0.00000000D+00 0.41414756D-03 0.00000000D+00 0.00000000D+00 0.15172472D-02 0.00000000D+00 0.00000000D+00 -0.61629695D-02 0.65975907D-03 0.00000000D+00 0.00000000D+00 -0.73552578D-03 0.00000000D+00 0.00000000D+00 -0.12437514D-02 0.00000000D+00 0.00000000D+00 0.46291149D-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 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ENERGY = -1.221428 -0.49410080D-02 -0.92181943D-02 -0.15736878D-01 -0.24558737D-01 -0.33474131D-01 -0.36323605D-01 -0.26453087D-01 -0.80697219D-02 -0.61834384D-04 -0.17602515D-03 -0.10538720D-02 -0.26024001D-02 -0.68616073D-02 -0.80402980D-02 0.92482492D-02 0.49503702D-02 0.28712024D-02 -0.48819826D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.14687132D-01 0.12374932D-01 0.97734561D-02 -0.11922163D-03 -0.10045252D-03 -0.79335250D-04 0.00000000D+00 -0.60994902D-03 -0.28485550D-03 0.00000000D+00 -0.27658524D-03 -0.14497378D-03 0.00000000D+00 0.10735141D-04 -0.15680818D-05 -0.36876495D-02 -0.77872663D-03 0.44663761D-02 0.00000000D+00 0.00000000D+00 -0.88116856D-03 -0.48605176D-03 0.87845706D-03 -0.39240530D-03 0.00000000D+00 0.00000000D+00 0.24932295D-03 0.53590511D-05 0.11386526D-04 -0.16745577D-04 0.00000000D+00 0.00000000D+00 0.12806072D-04 0.00000000D+00 -0.12741039D-02 0.11897978D-03 0.00000000D+00 0.22758004D-03 0.75222737D-04 0.00000000D+00 0.35947317D-02 -0.43216208D-03 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ORB. 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0.00000000D+00 MO 13 MO 0.0 OCC NO = 2.0000000 ORB. 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NO = 2.0000000 ORB. 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2.0000000 ORB. 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-0.13522877D-02 0.00000000D+00 MO 19 MO 0.0 OCC NO = 2.0000000 ORB. 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0.97938021D-02 0.11285379D-01 -0.13707773D-01 -0.87483560D-02 -0.12891042D-01 -0.26897791D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.10974756D+00 -0.10733071D+00 -0.70917940D-01 0.10717557D+01 0.10481536D+01 0.69255941D+00 0.00000000D+00 -0.26110346D-01 0.23339272D+00 0.00000000D+00 -0.88534234D-02 0.39049581D-01 0.00000000D+00 -0.46984036D-03 0.15521605D-02 -0.78453043D-02 -0.72519081D-02 0.15097212D-01 0.00000000D+00 0.00000000D+00 0.13445482D-01 -0.14590955D-02 -0.35325868D-02 0.49916823D-02 0.00000000D+00 0.00000000D+00 0.17921196D-03 -0.52498471D-03 -0.11750998D-02 0.17000845D-02 0.00000000D+00 0.00000000D+00 -0.16407351D-02 0.00000000D+00 -0.19246548D-02 0.12408412D-02 0.00000000D+00 -0.17216736D-02 -0.21655848D-02 0.00000000D+00 0.74956381D-02 -0.15569388D-02 0.00000000D+00 0.00000000D+00 -0.19097577D-03 0.16382958D-02 0.00000000D+00 -0.83807118D-04 -0.23457194D-02 0.00000000D+00 0.65673442D-03 -0.25691680D-02 0.00000000D+00 MO 21 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.476765 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.71252733D-02 -0.60035390D-02 -0.47414665D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.82305151D-03 0.00000000D+00 0.00000000D+00 -0.28561709D-05 0.00000000D+00 0.00000000D+00 -0.93298060D-06 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.25938000D-02 -0.98549278D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.24220089D-03 0.30933715D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.37035249D-05 0.10380043D-03 0.00000000D+00 0.48035688D-05 0.00000000D+00 0.00000000D+00 -0.76957716D-03 0.00000000D+00 0.00000000D+00 0.75516645D-03 0.00000000D+00 0.00000000D+00 0.12520063D-02 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0.00000000D+00 -0.67410872D-01 0.28469084D-03 0.00000000D+00 -0.34893438D-02 -0.10532056D-02 -0.13311857D-03 0.11863242D-02 0.00000000D+00 0.22669339D-01 0.00000000D+00 -0.25163205D-03 0.38500921D-03 -0.13337716D-03 0.00000000D+00 0.93045349D-02 0.00000000D+00 -0.10291751D-03 0.22332117D-03 -0.12040367D-03 0.00000000D+00 0.34485158D-02 0.00000000D+00 -0.71991944D-03 0.00000000D+00 0.50878710D-03 0.18847509D-02 0.00000000D+00 0.23843238D-02 0.27500743D-03 0.00000000D+00 -0.39106851D-02 0.00000000D+00 0.29299533D-03 0.00000000D+00 0.22662008D-02 -0.69706323D-03 0.00000000D+00 -0.40059485D-02 -0.18192277D-03 0.00000000D+00 -0.27926539D-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 -0.54921785D+00 -0.53712306D+00 -0.35489991D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.12084803D+00 0.00000000D+00 0.00000000D+00 -0.23106679D-01 0.00000000D+00 0.00000000D+00 -0.98923561D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.94268544D-02 0.94887954D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.27057155D-02 0.34512495D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.14289398D-02 0.13710643D-02 0.00000000D+00 0.16581138D-02 0.00000000D+00 0.00000000D+00 -0.39027557D-02 0.00000000D+00 0.00000000D+00 -0.10715858D-02 0.00000000D+00 0.00000000D+00 0.82998091D-02 0.43359072D-04 0.00000000D+00 0.00000000D+00 0.77992717D-03 0.00000000D+00 0.00000000D+00 -0.91000439D-03 0.00000000D+00 0.00000000D+00 0.19464765D-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 0.37009045D+00 0.36194038D+00 0.23914931D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.81069380D-01 0.00000000D+00 0.00000000D+00 0.15318679D-01 0.00000000D+00 0.00000000D+00 0.72532893D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.84838877D-02 0.61045470D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.12924302D-02 0.11577306D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.89284910D-03 0.50262627D-03 0.00000000D+00 -0.15027788D-02 0.00000000D+00 0.00000000D+00 0.42421150D-02 0.00000000D+00 0.00000000D+00 0.26622136D-03 0.00000000D+00 0.00000000D+00 0.84742828D-02 0.26741753D-03 0.00000000D+00 0.00000000D+00 -0.10199789D-02 0.00000000D+00 0.00000000D+00 0.21772632D-03 0.00000000D+00 0.00000000D+00 -0.17888236D-02 MO 22 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.473726 0.37806857D-04 0.70534383D-04 0.12041306D-03 0.18791483D-03 0.25613229D-03 0.27793546D-03 0.20240972D-03 0.61746676D-04 0.37745575D-06 0.10745107D-05 0.64331532D-05 0.15885836D-04 0.41885323D-04 0.49080407D-04 -0.56454106D-04 0.29330152D-03 -0.14131851D-03 -0.30115658D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.58244309D-02 -0.49074887D-02 -0.38758295D-02 0.68998821D-01 0.58136312D-01 0.45914814D-01 0.00000000D+00 -0.19786115D-03 0.73139767D-02 0.00000000D+00 0.15348024D-04 -0.10037782D-02 0.00000000D+00 0.76946666D-06 -0.23277994D-04 0.55078793D-03 -0.79628476D-03 0.24549682D-03 0.00000000D+00 0.00000000D+00 0.17577476D-01 -0.24504596D-04 -0.51698895D-04 0.76203492D-04 0.00000000D+00 0.00000000D+00 0.10943299D-02 -0.43688534D-07 -0.29609856D-05 0.30046741D-05 0.00000000D+00 0.00000000D+00 0.20681052D-03 0.00000000D+00 0.13314728D-03 0.15332599D-02 0.00000000D+00 -0.14295096D-03 -0.45191727D-02 0.00000000D+00 -0.25649088D-03 -0.80606940D-04 0.00000000D+00 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0.12460147D-02 0.36962791D-02 0.42592151D-02 -0.51734512D-02 -0.29760822D-02 -0.13433300D-01 -0.42593025D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.64250337D+00 0.62835426D+00 0.41518023D+00 0.89251696D+00 0.87286210D+00 0.57673689D+00 0.00000000D+00 0.13825203D+00 0.19168292D+00 0.00000000D+00 0.22109078D-01 0.28076440D-01 0.00000000D+00 0.24588720D-03 0.11418667D-02 -0.93564774D-02 -0.90914307D-03 0.10265620D-01 0.00000000D+00 0.00000000D+00 0.25862583D-01 -0.61372551D-03 0.40951982D-03 0.20420569D-03 0.00000000D+00 0.00000000D+00 0.42096062D-02 -0.60878013D-04 0.63036239D-03 -0.56948437D-03 0.00000000D+00 0.00000000D+00 0.97825431D-03 0.00000000D+00 -0.93471022D-03 0.15838955D-02 0.00000000D+00 -0.31103299D-02 -0.26793617D-02 0.00000000D+00 0.59144605D-02 -0.20723247D-02 0.00000000D+00 0.00000000D+00 -0.59387895D-03 -0.74325662D-03 0.00000000D+00 -0.77377564D-03 -0.12160316D-02 0.00000000D+00 0.25554125D-02 0.34458014D-02 0.00000000D+00 MO 25 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.443584 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.10810168D-01 0.91083198D-02 0.71935558D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.44565583D-02 0.00000000D+00 0.00000000D+00 -0.32107855D-04 0.00000000D+00 0.00000000D+00 -0.22013583D-05 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.15633444D-01 0.12512822D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.35937107D-02 0.25120624D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.57011561D-04 0.10325038D-05 0.00000000D+00 -0.42522380D-03 0.00000000D+00 0.00000000D+00 -0.38167038D-02 0.00000000D+00 0.00000000D+00 0.50923752D-02 0.00000000D+00 0.00000000D+00 -0.85195525D-03 0.30269582D-04 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-0.10801600D-02 -0.40644546D-03 0.00000000D+00 -0.72848283D-04 -0.98468309D-02 0.27544485D-02 0.70923823D-02 0.00000000D+00 0.10789758D-02 0.00000000D+00 -0.23361505D-02 0.36681037D-02 -0.13319532D-02 0.00000000D+00 0.11772960D-03 0.00000000D+00 -0.13309679D-02 0.12455422D-02 0.85425699D-04 0.00000000D+00 0.15523637D-03 0.00000000D+00 0.28316361D-04 0.00000000D+00 0.27477283D-04 -0.26072376D-02 0.00000000D+00 0.49922874D-04 0.25222885D-02 0.00000000D+00 -0.13235472D-03 0.00000000D+00 0.78394731D-03 0.00000000D+00 0.72310930D-04 0.47525408D-03 0.00000000D+00 -0.24181499D-03 -0.28270960D-02 0.00000000D+00 0.24882199D-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 0.10849513D+01 0.10610587D+01 0.70108632D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.23915950D+00 0.00000000D+00 0.00000000D+00 0.41100213D-01 0.00000000D+00 0.00000000D+00 0.19361055D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.95228041D-02 -0.17033122D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.18862432D-02 -0.62074463D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.29406678D-03 0.64133051D-04 0.00000000D+00 -0.16730037D-02 0.00000000D+00 0.00000000D+00 0.38461504D-03 0.00000000D+00 0.00000000D+00 0.46343960D-02 0.00000000D+00 0.00000000D+00 -0.93577720D-02 -0.24823809D-03 0.00000000D+00 0.00000000D+00 -0.58173198D-03 0.00000000D+00 0.00000000D+00 0.13264463D-02 0.00000000D+00 0.00000000D+00 0.29100344D-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 0.11539354D+01 0.11285236D+01 0.74566327D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.25439239D+00 0.00000000D+00 0.00000000D+00 0.43745831D-01 0.00000000D+00 0.00000000D+00 0.20460578D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.11772817D-01 0.17292951D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.24689921D-02 0.63479597D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.17534798D-03 -0.69400053D-04 0.00000000D+00 -0.18086981D-02 0.00000000D+00 0.00000000D+00 0.11175789D-02 0.00000000D+00 0.00000000D+00 0.43085155D-02 0.00000000D+00 0.00000000D+00 0.10663907D-01 -0.24930612D-03 0.00000000D+00 0.00000000D+00 -0.53490591D-03 0.00000000D+00 0.00000000D+00 0.12828243D-02 0.00000000D+00 0.00000000D+00 -0.14001455D-04 MO 26 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.443210 0.18272173D-02 0.34089490D-02 0.58196011D-02 0.90819828D-02 0.12378954D-01 0.13432708D-01 0.97825256D-02 0.29842363D-02 0.27608749D-04 0.78594367D-04 0.47054869D-03 0.11619589D-02 0.30636739D-02 0.35899536D-02 -0.41292978D-02 -0.62400443D-04 -0.22066100D-02 -0.80890177D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.54449780D-02 -0.45877732D-02 -0.36233250D-02 -0.47269452D-02 -0.39827805D-02 -0.31455148D-02 0.00000000D+00 -0.32054490D-02 -0.15812816D-02 0.00000000D+00 0.12341934D-02 -0.17490564D-03 0.00000000D+00 0.38502996D-04 0.50873809D-06 0.20192353D-02 0.69393244D-02 -0.89585597D-02 0.00000000D+00 0.00000000D+00 -0.15321201D-02 0.15924231D-02 -0.19351000D-02 0.34267684D-03 0.00000000D+00 0.00000000D+00 -0.35293964D-03 0.29732623D-04 -0.12230793D-03 0.92575304D-04 0.00000000D+00 0.00000000D+00 0.37395417D-05 0.00000000D+00 0.10661126D-02 -0.20548735D-03 0.00000000D+00 -0.12438032D-02 0.60935779D-03 0.00000000D+00 -0.19545346D-02 0.71042512D-05 0.00000000D+00 0.00000000D+00 0.52802266D-04 -0.18181032D-04 0.00000000D+00 -0.55127995D-04 0.86283038D-06 0.00000000D+00 -0.10327880D-03 0.53680265D-04 0.00000000D+00 -0.31238870D-02 -0.58229307D-02 -0.98711648D-02 -0.14946278D-01 -0.18686140D-01 -0.16073431D-01 -0.61645068D-02 -0.43729290D-04 -0.57889391D-03 -0.21026480D-02 -0.62374657D-02 -0.71874194D-02 0.87301914D-02 0.62567462D-02 0.34617942D-02 0.26429685D-02 0.37664689D+00 0.36835243D+00 0.24338602D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.13457626D+00 0.13161264D+00 0.86962035D-01 0.80252504D-01 0.00000000D+00 0.29725782D-01 0.16814626D-01 0.00000000D+00 0.48337413D-02 0.96457534D-06 0.00000000D+00 0.33502750D-03 0.69472693D-02 -0.17623064D-02 -0.51849628D-02 0.00000000D+00 0.24689309D-02 0.00000000D+00 0.22084955D-02 -0.12632441D-02 -0.94525147D-03 0.00000000D+00 0.28961597D-03 0.00000000D+00 0.18017184D-02 -0.16064628D-02 -0.19525559D-03 0.00000000D+00 0.10483655D-03 0.00000000D+00 0.17541248D-02 0.00000000D+00 -0.41447028D-03 -0.28309157D-02 0.00000000D+00 0.36742359D-03 -0.24314587D-02 0.00000000D+00 0.87598724D-03 0.00000000D+00 0.25363020D-03 0.00000000D+00 0.14650743D-04 0.13610897D-03 0.00000000D+00 0.20729334D-03 -0.89699956D-03 0.00000000D+00 -0.25124557D-03 0.00000000D+00 -0.98713461D-03 -0.18400206D-02 -0.31192449D-02 -0.47229586D-02 -0.59047384D-02 -0.50791339D-02 -0.19479572D-02 -0.12917734D-04 -0.17100660D-03 -0.62112710D-03 -0.18425618D-02 -0.21231804D-02 0.25789188D-02 0.14543683D-02 0.74181251D-02 0.40738791D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.12491952D+01 0.12216856D+01 0.80721932D+00 -0.84973615D-01 -0.83102340D-01 -0.54909230D-01 0.00000000D+00 0.27357133D+00 -0.21756969D-01 0.00000000D+00 0.47618251D-01 -0.67203094D-02 0.00000000D+00 0.16175843D-02 -0.74512951D-03 0.35651786D-02 -0.67702348D-02 0.32050562D-02 0.00000000D+00 0.00000000D+00 -0.21983965D-01 0.54974326D-03 -0.25258402D-02 0.19760970D-02 0.00000000D+00 0.00000000D+00 -0.43252480D-02 0.93370347D-04 -0.55602291D-03 0.46265257D-03 0.00000000D+00 0.00000000D+00 -0.13348398D-02 0.00000000D+00 -0.19439849D-03 -0.24522842D-02 0.00000000D+00 -0.15448064D-02 0.25911019D-02 0.00000000D+00 0.21280019D-02 0.47657507D-02 0.00000000D+00 0.00000000D+00 -0.29056042D-03 -0.56538018D-04 0.00000000D+00 -0.10570689D-02 -0.19546872D-02 0.00000000D+00 0.19287502D-02 0.21243012D-02 0.00000000D+00 -0.57210147D-03 -0.10663981D-02 -0.18077824D-02 -0.27372270D-02 -0.34221367D-02 -0.29436512D-02 -0.11289536D-02 -0.92070961D-05 -0.12188471D-03 -0.44270745D-03 -0.13132833D-02 -0.15132938D-02 0.18381207D-02 0.97093145D-03 0.37759347D-02 0.26210232D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.11327602D+01 0.11078147D+01 0.73198001D+00 0.39209718D+00 0.38346248D+00 0.25336987D+00 0.00000000D+00 0.24837619D+00 0.87975561D-01 0.00000000D+00 0.43902448D-01 0.17120227D-01 0.00000000D+00 0.17008079D-02 0.12666961D-02 0.14089026D-02 -0.86814391D-02 0.72725365D-02 0.00000000D+00 0.00000000D+00 0.15020531D-01 0.50812505D-03 -0.29642379D-02 0.24561128D-02 0.00000000D+00 0.00000000D+00 0.29588277D-02 0.85351995D-04 -0.52841131D-03 0.44305932D-03 0.00000000D+00 0.00000000D+00 0.94098572D-03 0.00000000D+00 0.32056076D-03 0.30858911D-02 0.00000000D+00 -0.74917500D-03 -0.33870834D-02 0.00000000D+00 -0.21250729D-03 -0.58705900D-02 0.00000000D+00 0.00000000D+00 0.51739228D-04 0.71916094D-05 0.00000000D+00 -0.10434240D-02 0.16549490D-02 0.00000000D+00 0.88820636D-03 -0.16765239D-02 0.00000000D+00 0.18272173D-02 0.34089490D-02 0.58196011D-02 0.90819828D-02 0.12378954D-01 0.13432708D-01 0.97825256D-02 0.29842363D-02 0.27608749D-04 0.78594367D-04 0.47054869D-03 0.11619589D-02 0.30636739D-02 0.35899536D-02 -0.41292978D-02 -0.62400443D-04 -0.22066100D-02 -0.80890177D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.54449780D-02 0.45877732D-02 0.36233250D-02 -0.47269452D-02 -0.39827805D-02 -0.31455148D-02 0.00000000D+00 0.32054490D-02 -0.15812816D-02 0.00000000D+00 -0.12341934D-02 -0.17490564D-03 0.00000000D+00 -0.38502996D-04 0.50873809D-06 0.20192353D-02 0.69393244D-02 -0.89585597D-02 0.00000000D+00 0.00000000D+00 0.15321201D-02 0.15924231D-02 -0.19351000D-02 0.34267684D-03 0.00000000D+00 0.00000000D+00 0.35293964D-03 0.29732623D-04 -0.12230793D-03 0.92575304D-04 0.00000000D+00 0.00000000D+00 -0.37395417D-05 0.00000000D+00 -0.10661126D-02 -0.20548735D-03 0.00000000D+00 0.12438032D-02 0.60935779D-03 0.00000000D+00 0.19545346D-02 0.71042512D-05 0.00000000D+00 0.00000000D+00 -0.52802266D-04 -0.18181032D-04 0.00000000D+00 0.55127995D-04 0.86283038D-06 0.00000000D+00 0.10327880D-03 0.53680265D-04 0.00000000D+00 -0.31238870D-02 -0.58229307D-02 -0.98711648D-02 -0.14946278D-01 -0.18686140D-01 -0.16073431D-01 -0.61645068D-02 -0.43729290D-04 -0.57889391D-03 -0.21026480D-02 -0.62374657D-02 -0.71874194D-02 0.87301914D-02 0.62567462D-02 0.34617942D-02 0.26429685D-02 -0.37664689D+00 -0.36835243D+00 -0.24338602D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.13457626D+00 0.13161264D+00 0.86962035D-01 -0.80252504D-01 0.00000000D+00 0.29725782D-01 -0.16814626D-01 0.00000000D+00 0.48337413D-02 -0.96457534D-06 0.00000000D+00 0.33502750D-03 0.69472693D-02 -0.17623064D-02 -0.51849628D-02 0.00000000D+00 -0.24689309D-02 0.00000000D+00 0.22084955D-02 -0.12632441D-02 -0.94525147D-03 0.00000000D+00 -0.28961597D-03 0.00000000D+00 0.18017184D-02 -0.16064628D-02 -0.19525559D-03 0.00000000D+00 -0.10483655D-03 0.00000000D+00 -0.17541248D-02 0.00000000D+00 -0.41447028D-03 0.28309157D-02 0.00000000D+00 0.36742359D-03 0.24314587D-02 0.00000000D+00 0.87598724D-03 0.00000000D+00 -0.25363020D-03 0.00000000D+00 0.14650743D-04 -0.13610897D-03 0.00000000D+00 0.20729334D-03 0.89699956D-03 0.00000000D+00 -0.25124557D-03 0.00000000D+00 -0.98713461D-03 -0.18400206D-02 -0.31192449D-02 -0.47229586D-02 -0.59047384D-02 -0.50791339D-02 -0.19479572D-02 -0.12917734D-04 -0.17100660D-03 -0.62112710D-03 -0.18425618D-02 -0.21231804D-02 0.25789188D-02 0.14543683D-02 0.74181251D-02 0.40738791D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.12491952D+01 -0.12216856D+01 -0.80721932D+00 -0.84973615D-01 -0.83102340D-01 -0.54909230D-01 0.00000000D+00 -0.27357133D+00 -0.21756969D-01 0.00000000D+00 -0.47618251D-01 -0.67203094D-02 0.00000000D+00 -0.16175843D-02 -0.74512951D-03 0.35651786D-02 -0.67702348D-02 0.32050562D-02 0.00000000D+00 0.00000000D+00 0.21983965D-01 0.54974326D-03 -0.25258402D-02 0.19760970D-02 0.00000000D+00 0.00000000D+00 0.43252480D-02 0.93370347D-04 -0.55602291D-03 0.46265257D-03 0.00000000D+00 0.00000000D+00 0.13348398D-02 0.00000000D+00 0.19439849D-03 -0.24522842D-02 0.00000000D+00 0.15448064D-02 0.25911019D-02 0.00000000D+00 -0.21280019D-02 0.47657507D-02 0.00000000D+00 0.00000000D+00 0.29056042D-03 -0.56538018D-04 0.00000000D+00 0.10570689D-02 -0.19546872D-02 0.00000000D+00 -0.19287502D-02 0.21243012D-02 0.00000000D+00 -0.57210147D-03 -0.10663981D-02 -0.18077824D-02 -0.27372270D-02 -0.34221367D-02 -0.29436512D-02 -0.11289536D-02 -0.92070961D-05 -0.12188471D-03 -0.44270745D-03 -0.13132833D-02 -0.15132938D-02 0.18381207D-02 0.97093145D-03 0.37759347D-02 0.26210232D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.11327602D+01 -0.11078147D+01 -0.73198001D+00 0.39209718D+00 0.38346248D+00 0.25336987D+00 0.00000000D+00 -0.24837619D+00 0.87975561D-01 0.00000000D+00 -0.43902448D-01 0.17120227D-01 0.00000000D+00 -0.17008079D-02 0.12666961D-02 0.14089026D-02 -0.86814391D-02 0.72725365D-02 0.00000000D+00 0.00000000D+00 -0.15020531D-01 0.50812505D-03 -0.29642379D-02 0.24561128D-02 0.00000000D+00 0.00000000D+00 -0.29588277D-02 0.85351995D-04 -0.52841131D-03 0.44305932D-03 0.00000000D+00 0.00000000D+00 -0.94098572D-03 0.00000000D+00 -0.32056076D-03 0.30858911D-02 0.00000000D+00 0.74917500D-03 -0.33870834D-02 0.00000000D+00 0.21250729D-03 -0.58705900D-02 0.00000000D+00 0.00000000D+00 -0.51739228D-04 0.71916094D-05 0.00000000D+00 0.10434240D-02 0.16549490D-02 0.00000000D+00 -0.88820636D-03 -0.16765239D-02 0.00000000D+00 MO 27 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.432940 0.15624747D-02 0.29150318D-02 0.49764084D-02 0.77661089D-02 0.10585387D-01 0.11486465D-01 0.83651511D-02 0.25518551D-02 0.30568818D-04 0.87020853D-04 0.52099851D-03 0.12865381D-02 0.33921454D-02 0.39748500D-02 -0.45720200D-02 -0.30719227D-02 -0.81769386D-02 0.11251611D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.13054341D-01 -0.10999191D-01 -0.86869256D-02 -0.83309726D-03 -0.70194247D-03 -0.55437912D-03 0.00000000D+00 -0.47953124D-02 0.23660388D-03 0.00000000D+00 0.30711804D-04 0.13420261D-03 0.00000000D+00 0.43398465D-05 0.16754472D-05 0.67062664D-02 0.45002650D-02 -0.11206531D-01 0.00000000D+00 0.00000000D+00 0.13675130D-02 0.19407265D-03 -0.81854626D-03 0.62447360D-03 0.00000000D+00 0.00000000D+00 -0.49554778D-03 0.32610622D-04 -0.65786116D-04 0.33175494D-04 0.00000000D+00 0.00000000D+00 -0.11285034D-04 0.00000000D+00 0.15575890D-02 -0.81358365D-04 0.00000000D+00 -0.19049100D-02 -0.13423877D-03 0.00000000D+00 -0.27678569D-02 0.37831387D-03 0.00000000D+00 0.00000000D+00 0.75101577D-04 -0.34930527D-05 0.00000000D+00 0.24611218D-03 -0.80260149D-05 0.00000000D+00 -0.47141691D-03 0.18505173D-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 0.67433497D+00 0.65948487D+00 0.43574954D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.14669436D+00 0.00000000D+00 0.00000000D+00 0.22543841D-01 0.00000000D+00 0.00000000D+00 0.19118890D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.15981961D-01 0.00000000D+00 0.65599414D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.65349217D-03 0.00000000D+00 0.56636393D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.12078578D-03 0.00000000D+00 -0.10579173D-03 0.00000000D+00 0.21525989D-02 0.00000000D+00 0.00000000D+00 -0.34731245D-02 0.00000000D+00 0.00000000D+00 -0.29846722D-02 0.00000000D+00 0.18559840D-03 0.00000000D+00 -0.28442109D-03 0.00000000D+00 0.00000000D+00 0.21098875D-02 0.00000000D+00 0.00000000D+00 -0.12566242D-02 0.00000000D+00 0.10620914D-04 -0.13049245D-03 -0.24323815D-03 -0.41234285D-03 -0.62434285D-03 -0.78056607D-03 -0.67142679D-03 -0.25750663D-03 -0.10451280D-05 -0.13835538D-04 -0.50253193D-04 -0.14907515D-03 -0.17177900D-03 0.20865118D-03 -0.18917350D-03 0.71111893D-02 0.41241595D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.11842181D+01 0.11581394D+01 0.76523168D+00 0.75924730D-02 0.74252728D-02 0.49061917D-02 0.00000000D+00 0.25740737D+00 -0.18099474D-02 0.00000000D+00 0.46409976D-01 -0.28199489D-02 0.00000000D+00 0.26631686D-02 -0.19939097D-03 0.47849025D-02 -0.61434860D-02 0.13585835D-02 0.00000000D+00 0.00000000D+00 -0.21050076D-01 0.37326125D-03 -0.15202483D-02 0.11469870D-02 0.00000000D+00 0.00000000D+00 -0.37949861D-02 0.56039982D-03 -0.94690882D-03 0.38650900D-03 0.00000000D+00 0.00000000D+00 -0.66171386D-03 0.00000000D+00 -0.84973755D-03 -0.19332807D-02 0.00000000D+00 -0.15843965D-02 0.19346164D-02 0.00000000D+00 0.41336091D-02 0.38652258D-02 0.00000000D+00 0.00000000D+00 0.20107532D-04 0.11965162D-03 0.00000000D+00 -0.11511584D-02 -0.21882703D-02 0.00000000D+00 0.10908358D-02 0.18293154D-02 0.00000000D+00 -0.17306592D-03 -0.32259517D-03 -0.54687068D-03 -0.82803617D-03 -0.10352276D-02 -0.89048137D-03 -0.34151877D-03 -0.21875208D-06 -0.28958679D-05 -0.10518319D-04 -0.31202395D-04 -0.35954458D-04 0.43672045D-04 -0.19628831D-03 0.74659483D-02 0.43027766D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.12099785D+01 0.11833325D+01 0.78187783D+00 0.11560928D+00 0.11306335D+00 0.74705738D-01 0.00000000D+00 0.26310295D+00 0.28929944D-01 0.00000000D+00 0.46603216D-01 0.74658206D-02 0.00000000D+00 0.26258902D-02 0.29688490D-03 0.48581905D-02 -0.80803414D-02 0.32221509D-02 0.00000000D+00 0.00000000D+00 0.19630674D-01 0.29671525D-03 -0.18619707D-02 0.15652554D-02 0.00000000D+00 0.00000000D+00 0.32825179D-02 0.50634976D-03 -0.94048623D-03 0.43413647D-03 0.00000000D+00 0.00000000D+00 0.36693594D-03 0.00000000D+00 -0.48961213D-03 0.20822384D-02 0.00000000D+00 -0.13732172D-02 -0.16771251D-02 0.00000000D+00 0.28420536D-02 -0.45695900D-02 0.00000000D+00 0.00000000D+00 0.17597843D-03 0.66110303D-04 0.00000000D+00 -0.13202688D-02 0.18743168D-02 0.00000000D+00 0.79233356D-03 -0.20726477D-02 0.00000000D+00 -0.15624747D-02 -0.29150318D-02 -0.49764084D-02 -0.77661089D-02 -0.10585387D-01 -0.11486465D-01 -0.83651511D-02 -0.25518551D-02 -0.30568818D-04 -0.87020853D-04 -0.52099851D-03 -0.12865381D-02 -0.33921454D-02 -0.39748500D-02 0.45720200D-02 0.30719227D-02 0.81769386D-02 -0.11251611D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.13054341D-01 -0.10999191D-01 -0.86869256D-02 0.83309726D-03 0.70194247D-03 0.55437912D-03 0.00000000D+00 -0.47953124D-02 -0.23660388D-03 0.00000000D+00 0.30711804D-04 -0.13420261D-03 0.00000000D+00 0.43398465D-05 -0.16754472D-05 -0.67062664D-02 -0.45002650D-02 0.11206531D-01 0.00000000D+00 0.00000000D+00 0.13675130D-02 -0.19407265D-03 0.81854626D-03 -0.62447360D-03 0.00000000D+00 0.00000000D+00 -0.49554778D-03 -0.32610622D-04 0.65786116D-04 -0.33175494D-04 0.00000000D+00 0.00000000D+00 -0.11285034D-04 0.00000000D+00 0.15575890D-02 0.81358365D-04 0.00000000D+00 -0.19049100D-02 0.13423877D-03 0.00000000D+00 -0.27678569D-02 -0.37831387D-03 0.00000000D+00 0.00000000D+00 0.75101577D-04 0.34930527D-05 0.00000000D+00 0.24611218D-03 0.80260149D-05 0.00000000D+00 -0.47141691D-03 -0.18505173D-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 0.67433497D+00 0.65948487D+00 0.43574954D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.14669436D+00 0.00000000D+00 0.00000000D+00 0.22543841D-01 0.00000000D+00 0.00000000D+00 0.19118890D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.15981961D-01 0.00000000D+00 0.65599414D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.65349217D-03 0.00000000D+00 0.56636393D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.12078578D-03 0.00000000D+00 -0.10579173D-03 0.00000000D+00 0.21525989D-02 0.00000000D+00 0.00000000D+00 -0.34731245D-02 0.00000000D+00 0.00000000D+00 -0.29846722D-02 0.00000000D+00 -0.18559840D-03 0.00000000D+00 -0.28442109D-03 0.00000000D+00 0.00000000D+00 0.21098875D-02 0.00000000D+00 0.00000000D+00 -0.12566242D-02 0.00000000D+00 -0.10620914D-04 0.13049245D-03 0.24323815D-03 0.41234285D-03 0.62434285D-03 0.78056607D-03 0.67142679D-03 0.25750663D-03 0.10451280D-05 0.13835538D-04 0.50253193D-04 0.14907515D-03 0.17177900D-03 -0.20865118D-03 0.18917350D-03 -0.71111893D-02 -0.41241595D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.11842181D+01 0.11581394D+01 0.76523168D+00 -0.75924730D-02 -0.74252728D-02 -0.49061917D-02 0.00000000D+00 0.25740737D+00 0.18099474D-02 0.00000000D+00 0.46409976D-01 0.28199489D-02 0.00000000D+00 0.26631686D-02 0.19939097D-03 -0.47849025D-02 0.61434860D-02 -0.13585835D-02 0.00000000D+00 0.00000000D+00 -0.21050076D-01 -0.37326125D-03 0.15202483D-02 -0.11469870D-02 0.00000000D+00 0.00000000D+00 -0.37949861D-02 -0.56039982D-03 0.94690882D-03 -0.38650900D-03 0.00000000D+00 0.00000000D+00 -0.66171386D-03 0.00000000D+00 -0.84973755D-03 0.19332807D-02 0.00000000D+00 -0.15843965D-02 -0.19346164D-02 0.00000000D+00 0.41336091D-02 -0.38652258D-02 0.00000000D+00 0.00000000D+00 0.20107532D-04 -0.11965162D-03 0.00000000D+00 -0.11511584D-02 0.21882703D-02 0.00000000D+00 0.10908358D-02 -0.18293154D-02 0.00000000D+00 0.17306592D-03 0.32259517D-03 0.54687068D-03 0.82803617D-03 0.10352276D-02 0.89048137D-03 0.34151877D-03 0.21875208D-06 0.28958679D-05 0.10518319D-04 0.31202395D-04 0.35954458D-04 -0.43672045D-04 0.19628831D-03 -0.74659483D-02 -0.43027766D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.12099785D+01 0.11833325D+01 0.78187783D+00 -0.11560928D+00 -0.11306335D+00 -0.74705738D-01 0.00000000D+00 0.26310295D+00 -0.28929944D-01 0.00000000D+00 0.46603216D-01 -0.74658206D-02 0.00000000D+00 0.26258902D-02 -0.29688490D-03 -0.48581905D-02 0.80803414D-02 -0.32221509D-02 0.00000000D+00 0.00000000D+00 0.19630674D-01 -0.29671525D-03 0.18619707D-02 -0.15652554D-02 0.00000000D+00 0.00000000D+00 0.32825179D-02 -0.50634976D-03 0.94048623D-03 -0.43413647D-03 0.00000000D+00 0.00000000D+00 0.36693594D-03 0.00000000D+00 -0.48961213D-03 -0.20822384D-02 0.00000000D+00 -0.13732172D-02 0.16771251D-02 0.00000000D+00 0.28420536D-02 0.45695900D-02 0.00000000D+00 0.00000000D+00 0.17597843D-03 -0.66110303D-04 0.00000000D+00 -0.13202688D-02 -0.18743168D-02 0.00000000D+00 0.79233356D-03 0.20726477D-02 0.00000000D+00 MO 28 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.429240 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.38617109D-03 0.32537604D-03 0.25697503D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.28488383D-04 0.00000000D+00 0.00000000D+00 0.22118328D-03 0.00000000D+00 0.00000000D+00 -0.30911171D-08 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.14798156D-03 0.88830820D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.24452158D-03 -0.33069011D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.11152534D-04 -0.19821114D-03 0.00000000D+00 -0.33450903D-04 0.00000000D+00 0.00000000D+00 -0.15161696D-03 0.00000000D+00 0.00000000D+00 0.25196967D-03 0.00000000D+00 0.00000000D+00 0.32496308D-02 0.83537538D-05 0.00000000D+00 0.00000000D+00 -0.11038724D-04 0.00000000D+00 0.00000000D+00 -0.14022538D-04 0.00000000D+00 0.00000000D+00 -0.85257676D-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 0.14060155D-01 0.13750524D-01 0.90855527D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.28970607D-02 0.00000000D+00 0.00000000D+00 0.57472338D-03 0.00000000D+00 0.00000000D+00 0.35273073D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.43907704D-03 0.00000000D+00 -0.92679070D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.12434977D-03 0.00000000D+00 -0.11575713D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.13876046D-03 0.00000000D+00 -0.29783740D-02 0.00000000D+00 0.20287497D-03 0.00000000D+00 0.00000000D+00 -0.18240577D-03 0.00000000D+00 0.00000000D+00 -0.42621914D-03 0.00000000D+00 -0.62177178D-02 0.00000000D+00 -0.34114934D-04 0.00000000D+00 0.00000000D+00 0.90576409D-04 0.00000000D+00 0.00000000D+00 0.11768394D-04 0.00000000D+00 0.12626360D-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 0.13136870D+01 0.12847572D+01 0.84889339D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.28869984D+00 0.00000000D+00 0.00000000D+00 0.53517024D-01 0.00000000D+00 0.00000000D+00 0.32117372D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.11458574D-01 -0.17237141D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.27232825D-02 -0.58509312D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.20001512D-02 -0.19269521D-02 0.00000000D+00 -0.43476394D-03 0.00000000D+00 0.00000000D+00 -0.13441805D-02 0.00000000D+00 0.00000000D+00 0.26484724D-02 0.00000000D+00 0.00000000D+00 0.23202783D-02 -0.99953339D-03 0.00000000D+00 0.00000000D+00 0.85765363D-03 0.00000000D+00 0.00000000D+00 0.21409465D-02 0.00000000D+00 0.00000000D+00 0.47739025D-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 -0.12423522D+01 -0.12149933D+01 -0.80279747D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.27310847D+00 0.00000000D+00 0.00000000D+00 -0.50673664D-01 0.00000000D+00 0.00000000D+00 -0.30416867D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.12054903D-01 -0.15338293D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.31000159D-02 -0.52708762D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.20861606D-02 -0.17412539D-02 0.00000000D+00 0.37602673D-03 0.00000000D+00 0.00000000D+00 0.11240064D-02 0.00000000D+00 0.00000000D+00 -0.22520866D-02 0.00000000D+00 0.00000000D+00 0.25133366D-02 0.95980239D-03 0.00000000D+00 0.00000000D+00 -0.12135410D-02 0.00000000D+00 0.00000000D+00 -0.16658662D-02 0.00000000D+00 0.00000000D+00 0.47964360D-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 -0.38617109D-03 -0.32537604D-03 -0.25697503D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.28488383D-04 0.00000000D+00 0.00000000D+00 -0.22118328D-03 0.00000000D+00 0.00000000D+00 0.30911171D-08 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 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0.00000000D+00 -0.35273073D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.43907704D-03 0.00000000D+00 0.92679070D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.12434977D-03 0.00000000D+00 0.11575713D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.13876046D-03 0.00000000D+00 0.29783740D-02 0.00000000D+00 -0.20287497D-03 0.00000000D+00 0.00000000D+00 0.18240577D-03 0.00000000D+00 0.00000000D+00 0.42621914D-03 0.00000000D+00 -0.62177178D-02 0.00000000D+00 0.34114934D-04 0.00000000D+00 0.00000000D+00 -0.90576409D-04 0.00000000D+00 0.00000000D+00 -0.11768394D-04 0.00000000D+00 0.12626360D-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 -0.13136870D+01 -0.12847572D+01 -0.84889339D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.28869984D+00 0.00000000D+00 0.00000000D+00 -0.53517024D-01 0.00000000D+00 0.00000000D+00 -0.32117372D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.11458574D-01 0.17237141D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.27232825D-02 0.58509312D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.20001512D-02 0.19269521D-02 0.00000000D+00 0.43476394D-03 0.00000000D+00 0.00000000D+00 0.13441805D-02 0.00000000D+00 0.00000000D+00 -0.26484724D-02 0.00000000D+00 0.00000000D+00 0.23202783D-02 0.99953339D-03 0.00000000D+00 0.00000000D+00 -0.85765363D-03 0.00000000D+00 0.00000000D+00 -0.21409465D-02 0.00000000D+00 0.00000000D+00 0.47739025D-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 0.12423522D+01 0.12149933D+01 0.80279747D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.27310847D+00 0.00000000D+00 0.00000000D+00 0.50673664D-01 0.00000000D+00 0.00000000D+00 0.30416867D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.12054903D-01 0.15338293D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.31000159D-02 0.52708762D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.20861606D-02 0.17412539D-02 0.00000000D+00 -0.37602673D-03 0.00000000D+00 0.00000000D+00 -0.11240064D-02 0.00000000D+00 0.00000000D+00 0.22520866D-02 0.00000000D+00 0.00000000D+00 0.25133366D-02 -0.95980239D-03 0.00000000D+00 0.00000000D+00 0.12135410D-02 0.00000000D+00 0.00000000D+00 0.16658662D-02 0.00000000D+00 0.00000000D+00 0.47964360D-02 MO 29 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.426730 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.98752457D-04 0.83205823D-04 0.65714176D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.17506817D-02 0.00000000D+00 0.00000000D+00 0.46770942D-03 0.00000000D+00 0.00000000D+00 0.20889713D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.14804931D-01 0.37743702D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.18674717D-02 0.12298709D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.12455436D-03 0.85959511D-05 0.00000000D+00 -0.88513419D-03 0.00000000D+00 0.00000000D+00 -0.27104030D-02 0.00000000D+00 0.00000000D+00 0.53658056D-02 0.00000000D+00 0.00000000D+00 -0.60556293D-03 -0.72442454D-05 0.00000000D+00 0.00000000D+00 0.53852811D-04 0.00000000D+00 0.00000000D+00 -0.32120075D-04 0.00000000D+00 0.00000000D+00 0.28557119D-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 0.82854210D+00 0.81029607D+00 0.53539688D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.17648900D+00 0.00000000D+00 0.00000000D+00 0.28138635D-01 0.00000000D+00 0.00000000D+00 0.13108984D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.25276890D-01 0.00000000D+00 0.81187516D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.37534955D-02 0.00000000D+00 -0.25762641D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.13300709D-02 0.00000000D+00 0.26215617D-04 0.00000000D+00 0.10552279D-02 0.00000000D+00 0.00000000D+00 -0.69475745D-04 0.00000000D+00 0.00000000D+00 -0.30962081D-02 0.00000000D+00 -0.14777999D-03 0.00000000D+00 0.25835112D-03 0.00000000D+00 0.00000000D+00 -0.13366338D-04 0.00000000D+00 0.00000000D+00 -0.76168702D-03 0.00000000D+00 0.17208906D-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 0.11240903D+01 0.10993358D+01 0.72637764D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.24806841D+00 0.00000000D+00 0.00000000D+00 0.42257445D-01 0.00000000D+00 0.00000000D+00 0.21298746D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.82167941D-02 -0.15774640D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.10265837D-02 -0.51358914D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.48771335D-03 0.16469227D-03 0.00000000D+00 -0.13317250D-02 0.00000000D+00 0.00000000D+00 0.41591153D-03 0.00000000D+00 0.00000000D+00 0.35792635D-02 0.00000000D+00 0.00000000D+00 0.66673388D-02 -0.31557599D-03 0.00000000D+00 0.00000000D+00 -0.63656008D-03 0.00000000D+00 0.00000000D+00 0.15832881D-02 0.00000000D+00 0.00000000D+00 0.24283216D-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 0.11977417D+01 0.11713652D+01 0.77397053D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.26428136D+00 0.00000000D+00 0.00000000D+00 0.45301883D-01 0.00000000D+00 0.00000000D+00 0.23760487D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.99097851D-02 0.16002843D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.16719054D-02 0.53663013D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.43310140D-03 0.48564420D-04 0.00000000D+00 -0.13096458D-02 0.00000000D+00 0.00000000D+00 0.95200735D-03 0.00000000D+00 0.00000000D+00 0.29769300D-02 0.00000000D+00 0.00000000D+00 -0.69460889D-02 -0.39397445D-03 0.00000000D+00 0.00000000D+00 -0.59332547D-03 0.00000000D+00 0.00000000D+00 0.17752488D-02 0.00000000D+00 0.00000000D+00 -0.98848548D-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 -0.98752457D-04 -0.83205823D-04 -0.65714176D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.17506817D-02 0.00000000D+00 0.00000000D+00 -0.46770942D-03 0.00000000D+00 0.00000000D+00 -0.20889713D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.14804931D-01 -0.37743702D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.18674717D-02 -0.12298709D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.12455436D-03 -0.85959511D-05 0.00000000D+00 0.88513419D-03 0.00000000D+00 0.00000000D+00 0.27104030D-02 0.00000000D+00 0.00000000D+00 -0.53658056D-02 0.00000000D+00 0.00000000D+00 -0.60556293D-03 0.72442454D-05 0.00000000D+00 0.00000000D+00 -0.53852811D-04 0.00000000D+00 0.00000000D+00 0.32120075D-04 0.00000000D+00 0.00000000D+00 0.28557119D-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 -0.82854210D+00 -0.81029607D+00 -0.53539688D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.17648900D+00 0.00000000D+00 0.00000000D+00 -0.28138635D-01 0.00000000D+00 0.00000000D+00 -0.13108984D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.25276890D-01 0.00000000D+00 -0.81187516D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.37534955D-02 0.00000000D+00 0.25762641D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.13300709D-02 0.00000000D+00 -0.26215617D-04 0.00000000D+00 -0.10552279D-02 0.00000000D+00 0.00000000D+00 0.69475745D-04 0.00000000D+00 0.00000000D+00 0.30962081D-02 0.00000000D+00 -0.14777999D-03 0.00000000D+00 -0.25835112D-03 0.00000000D+00 0.00000000D+00 0.13366338D-04 0.00000000D+00 0.00000000D+00 0.76168702D-03 0.00000000D+00 0.17208906D-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 -0.11240903D+01 -0.10993358D+01 -0.72637764D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.24806841D+00 0.00000000D+00 0.00000000D+00 -0.42257445D-01 0.00000000D+00 0.00000000D+00 -0.21298746D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.82167941D-02 0.15774640D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.10265837D-02 0.51358914D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.48771335D-03 -0.16469227D-03 0.00000000D+00 0.13317250D-02 0.00000000D+00 0.00000000D+00 -0.41591153D-03 0.00000000D+00 0.00000000D+00 -0.35792635D-02 0.00000000D+00 0.00000000D+00 0.66673388D-02 0.31557599D-03 0.00000000D+00 0.00000000D+00 0.63656008D-03 0.00000000D+00 0.00000000D+00 -0.15832881D-02 0.00000000D+00 0.00000000D+00 0.24283216D-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 -0.11977417D+01 -0.11713652D+01 -0.77397053D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.26428136D+00 0.00000000D+00 0.00000000D+00 -0.45301883D-01 0.00000000D+00 0.00000000D+00 -0.23760487D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.99097851D-02 -0.16002843D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.16719054D-02 -0.53663013D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.43310140D-03 -0.48564420D-04 0.00000000D+00 0.13096458D-02 0.00000000D+00 0.00000000D+00 -0.95200735D-03 0.00000000D+00 0.00000000D+00 -0.29769300D-02 0.00000000D+00 0.00000000D+00 -0.69460889D-02 0.39397445D-03 0.00000000D+00 0.00000000D+00 0.59332547D-03 0.00000000D+00 0.00000000D+00 -0.17752488D-02 0.00000000D+00 0.00000000D+00 -0.98848548D-03 MO 30 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.420204 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.27926194D-04 -0.23529763D-04 -0.18583303D-04 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.74411368D-04 0.00000000D+00 0.00000000D+00 0.23112385D-04 0.00000000D+00 0.00000000D+00 -0.18747896D-06 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.17507919D-03 0.54554601D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.90629072D-04 -0.14915282D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.28547551D-05 -0.64014567D-04 0.00000000D+00 -0.15525951D-04 0.00000000D+00 0.00000000D+00 -0.24005300D-03 0.00000000D+00 0.00000000D+00 0.28663085D-03 0.00000000D+00 0.00000000D+00 0.48989527D-02 -0.63317078D-06 0.00000000D+00 0.00000000D+00 0.69266002D-05 0.00000000D+00 0.00000000D+00 -0.50270879D-05 0.00000000D+00 0.00000000D+00 -0.99254906D-04 -0.46703910D-04 -0.87056168D-04 -0.14757960D-03 -0.22345547D-03 -0.27936856D-03 -0.24030706D-03 -0.92162928D-04 -0.80178050D-06 -0.10614073D-04 -0.38552243D-04 -0.11436450D-03 -0.13178199D-03 0.16006885D-03 0.12119737D-03 -0.14646986D-03 -0.17884590D-03 -0.94628556D-02 -0.92544661D-02 -0.61148170D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.76801853D+00 0.75110535D+00 0.49628706D+00 -0.21507425D-02 0.00000000D+00 0.17050323D+00 -0.60148133D-03 0.00000000D+00 0.28651439D-01 -0.71697310D-04 0.00000000D+00 0.12274460D-02 -0.57755498D-04 0.11473657D-03 -0.56981071D-04 0.00000000D+00 0.79915053D-02 0.00000000D+00 -0.58813083D-04 -0.13310720D-04 0.72123803D-04 0.00000000D+00 0.40155826D-02 0.00000000D+00 -0.65763140D-04 0.64127101D-04 0.16360391D-05 0.00000000D+00 0.17783818D-03 0.00000000D+00 0.95878875D-04 0.00000000D+00 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0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.11609815D+01 -0.11354145D+01 -0.75021639D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.25556469D+00 0.00000000D+00 0.00000000D+00 -0.46391323D-01 0.00000000D+00 0.00000000D+00 -0.25476134D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.83912655D-02 -0.13463434D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.28626594D-02 -0.49164397D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.11341258D-02 -0.93752452D-03 0.00000000D+00 -0.50257646D-04 0.00000000D+00 0.00000000D+00 0.30503502D-02 0.00000000D+00 0.00000000D+00 -0.28995772D-02 0.00000000D+00 0.00000000D+00 -0.36370621D-03 0.97613824D-03 0.00000000D+00 0.00000000D+00 -0.16523380D-02 0.00000000D+00 0.00000000D+00 -0.12760767D-02 0.00000000D+00 0.00000000D+00 -0.49380131D-02 MO 31 MO 0.0 OCC NO = 2.0000000 ORB. 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0.75654429D-03 -0.91893573D-03 -0.89736690D-03 -0.51593347D-03 0.17789760D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.81287612D+00 0.79497510D+00 0.52527366D+00 -0.99145211D+00 -0.96961851D+00 -0.64066794D+00 0.00000000D+00 0.17958053D+00 -0.21624740D+00 0.00000000D+00 0.32241045D-01 -0.36400497D-01 0.00000000D+00 0.10260981D-02 -0.13598696D-02 0.21075944D-02 0.10147806D-01 -0.12255401D-01 0.00000000D+00 0.00000000D+00 -0.21868488D-02 0.13873980D-03 0.12575555D-02 -0.13962953D-02 0.00000000D+00 0.00000000D+00 0.94154007D-03 -0.47388223D-03 0.47041416D-03 0.34680672D-05 0.00000000D+00 0.00000000D+00 0.41270348D-03 0.00000000D+00 0.88611272D-03 -0.14800642D-02 0.00000000D+00 0.40505753D-03 0.26395229D-04 0.00000000D+00 -0.30633957D-02 0.44137974D-02 0.00000000D+00 0.00000000D+00 0.36230606D-03 -0.61833000D-03 0.00000000D+00 -0.29370187D-03 0.96109884D-03 0.00000000D+00 -0.79321632D-03 0.89389117D-03 0.00000000D+00 MO 32 MO 0.0 OCC NO = 2.0000000 ORB. 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ENERGY = -629.482334035891 THE VIRIAL(-V/T)= 2.00462636