Title Card Required GAUSSIAN 59 MOL ORBITALS 352 PRIMITIVES 9 NUCLEI B 1 (CENTRE 1) -2.19813603 2.58659522 0.03592389 CHARGE = 5.0 B 2 (CENTRE 2) 0.74063133 3.28314262 0.04184818 CHARGE = 5.0 B 3 (CENTRE 3) 3.13263190 1.49829736 0.01613467 CHARGE = 5.0 B 4 (CENTRE 4) 3.16862744 -1.43115616 -0.02260660 CHARGE = 5.0 B 5 (CENTRE 5) 0.81725847 -3.26583005 -0.04330288 CHARGE = 5.0 B 6 (CENTRE 6) -2.13728743 -2.63361649 -0.03154879 CHARGE = 5.0 B 7 (CENTRE 7) -3.53019202 -0.03856630 0.00306533 CHARGE = 5.0 Mg 8 (CENTRE 8) -0.00218467 0.03797027 -2.82246074 CHARGE = 12.0 Mg 9 (CENTRE 9) 0.00487898 -0.03749785 2.82266333 CHARGE = 12.0 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 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 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 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 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 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 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 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 CENTRE ASSIGNMENTS 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 CENTRE ASSIGNMENTS 9 9 9 9 9 9 9 9 9 9 9 9 TYPE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 1 2 TYPE ASSIGNMENTS 3 4 1 2 3 4 1 2 3 4 5 6 7 8 9 10 1 1 1 1 TYPE ASSIGNMENTS 1 1 1 1 1 2 2 2 3 3 3 4 4 4 1 2 3 4 1 2 TYPE ASSIGNMENTS 3 4 1 2 3 4 5 6 7 8 9 10 1 1 1 1 1 1 1 1 TYPE ASSIGNMENTS 1 2 2 2 3 3 3 4 4 4 1 2 3 4 1 2 3 4 1 2 TYPE ASSIGNMENTS 3 4 5 6 7 8 9 10 1 1 1 1 1 1 1 1 1 2 2 2 TYPE ASSIGNMENTS 3 3 3 4 4 4 1 2 3 4 1 2 3 4 1 2 3 4 5 6 TYPE ASSIGNMENTS 7 8 9 10 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 TYPE ASSIGNMENTS 4 4 1 2 3 4 1 2 3 4 1 2 3 4 5 6 7 8 9 10 TYPE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 1 2 TYPE ASSIGNMENTS 3 4 1 2 3 4 1 2 3 4 5 6 7 8 9 10 1 1 1 1 TYPE ASSIGNMENTS 1 1 1 1 1 2 2 2 3 3 3 4 4 4 1 2 3 4 1 2 TYPE ASSIGNMENTS 3 4 1 2 3 4 5 6 7 8 9 10 1 1 1 1 1 1 1 1 TYPE ASSIGNMENTS 1 1 1 1 1 1 2 3 4 2 2 2 2 3 3 3 3 4 4 4 TYPE ASSIGNMENTS 4 2 2 3 3 4 4 2 3 4 2 3 4 2 3 4 5 6 7 8 TYPE ASSIGNMENTS 9 10 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 2 TYPE ASSIGNMENTS 2 2 2 3 3 3 3 4 4 4 4 2 2 3 3 4 4 2 3 4 TYPE ASSIGNMENTS 2 3 4 2 3 4 5 6 7 8 9 10 EXPONENTS 0.2858890D+04 0.4281400D+03 0.9752820D+02 0.2796930D+02 0.8215770D+01 EXPONENTS 0.1112780D+01 0.1324150D+02 0.3001660D+01 0.9128560D+00 0.1324150D+02 EXPONENTS 0.3001660D+01 0.9128560D+00 0.1324150D+02 0.3001660D+01 0.9128560D+00 EXPONENTS 0.1324150D+02 0.3001660D+01 0.9128560D+00 0.3154540D+00 0.3154540D+00 EXPONENTS 0.3154540D+00 0.3154540D+00 0.9885630D-01 0.9885630D-01 0.9885630D-01 EXPONENTS 0.9885630D-01 0.3150000D-01 0.3150000D-01 0.3150000D-01 0.3150000D-01 EXPONENTS 0.4010000D+00 0.4010000D+00 0.4010000D+00 0.4010000D+00 0.4010000D+00 EXPONENTS 0.4010000D+00 0.2858890D+04 0.4281400D+03 0.9752820D+02 0.2796930D+02 EXPONENTS 0.8215770D+01 0.1112780D+01 0.1324150D+02 0.3001660D+01 0.9128560D+00 EXPONENTS 0.1324150D+02 0.3001660D+01 0.9128560D+00 0.1324150D+02 0.3001660D+01 EXPONENTS 0.9128560D+00 0.1324150D+02 0.3001660D+01 0.9128560D+00 0.3154540D+00 EXPONENTS 0.3154540D+00 0.3154540D+00 0.3154540D+00 0.9885630D-01 0.9885630D-01 EXPONENTS 0.9885630D-01 0.9885630D-01 0.3150000D-01 0.3150000D-01 0.3150000D-01 EXPONENTS 0.3150000D-01 0.4010000D+00 0.4010000D+00 0.4010000D+00 0.4010000D+00 EXPONENTS 0.4010000D+00 0.4010000D+00 0.2858890D+04 0.4281400D+03 0.9752820D+02 EXPONENTS 0.2796930D+02 0.8215770D+01 0.1112780D+01 0.1324150D+02 0.3001660D+01 EXPONENTS 0.9128560D+00 0.1324150D+02 0.3001660D+01 0.9128560D+00 0.1324150D+02 EXPONENTS 0.3001660D+01 0.9128560D+00 0.1324150D+02 0.3001660D+01 0.9128560D+00 EXPONENTS 0.3154540D+00 0.3154540D+00 0.3154540D+00 0.3154540D+00 0.9885630D-01 EXPONENTS 0.9885630D-01 0.9885630D-01 0.9885630D-01 0.3150000D-01 0.3150000D-01 EXPONENTS 0.3150000D-01 0.3150000D-01 0.4010000D+00 0.4010000D+00 0.4010000D+00 EXPONENTS 0.4010000D+00 0.4010000D+00 0.4010000D+00 0.2858890D+04 0.4281400D+03 EXPONENTS 0.9752820D+02 0.2796930D+02 0.8215770D+01 0.1112780D+01 0.1324150D+02 EXPONENTS 0.3001660D+01 0.9128560D+00 0.1324150D+02 0.3001660D+01 0.9128560D+00 EXPONENTS 0.1324150D+02 0.3001660D+01 0.9128560D+00 0.1324150D+02 0.3001660D+01 EXPONENTS 0.9128560D+00 0.3154540D+00 0.3154540D+00 0.3154540D+00 0.3154540D+00 EXPONENTS 0.9885630D-01 0.9885630D-01 0.9885630D-01 0.9885630D-01 0.3150000D-01 EXPONENTS 0.3150000D-01 0.3150000D-01 0.3150000D-01 0.4010000D+00 0.4010000D+00 EXPONENTS 0.4010000D+00 0.4010000D+00 0.4010000D+00 0.4010000D+00 0.2858890D+04 EXPONENTS 0.4281400D+03 0.9752820D+02 0.2796930D+02 0.8215770D+01 0.1112780D+01 EXPONENTS 0.1324150D+02 0.3001660D+01 0.9128560D+00 0.1324150D+02 0.3001660D+01 EXPONENTS 0.9128560D+00 0.1324150D+02 0.3001660D+01 0.9128560D+00 0.1324150D+02 EXPONENTS 0.3001660D+01 0.9128560D+00 0.3154540D+00 0.3154540D+00 0.3154540D+00 EXPONENTS 0.3154540D+00 0.9885630D-01 0.9885630D-01 0.9885630D-01 0.9885630D-01 EXPONENTS 0.3150000D-01 0.3150000D-01 0.3150000D-01 0.3150000D-01 0.4010000D+00 EXPONENTS 0.4010000D+00 0.4010000D+00 0.4010000D+00 0.4010000D+00 0.4010000D+00 EXPONENTS 0.2858890D+04 0.4281400D+03 0.9752820D+02 0.2796930D+02 0.8215770D+01 EXPONENTS 0.1112780D+01 0.1324150D+02 0.3001660D+01 0.9128560D+00 0.1324150D+02 EXPONENTS 0.3001660D+01 0.9128560D+00 0.1324150D+02 0.3001660D+01 0.9128560D+00 EXPONENTS 0.1324150D+02 0.3001660D+01 0.9128560D+00 0.3154540D+00 0.3154540D+00 EXPONENTS 0.3154540D+00 0.3154540D+00 0.9885630D-01 0.9885630D-01 0.9885630D-01 EXPONENTS 0.9885630D-01 0.3150000D-01 0.3150000D-01 0.3150000D-01 0.3150000D-01 EXPONENTS 0.4010000D+00 0.4010000D+00 0.4010000D+00 0.4010000D+00 0.4010000D+00 EXPONENTS 0.4010000D+00 0.2858890D+04 0.4281400D+03 0.9752820D+02 0.2796930D+02 EXPONENTS 0.8215770D+01 0.1112780D+01 0.1324150D+02 0.3001660D+01 0.9128560D+00 EXPONENTS 0.1324150D+02 0.3001660D+01 0.9128560D+00 0.1324150D+02 0.3001660D+01 EXPONENTS 0.9128560D+00 0.1324150D+02 0.3001660D+01 0.9128560D+00 0.3154540D+00 EXPONENTS 0.3154540D+00 0.3154540D+00 0.3154540D+00 0.9885630D-01 0.9885630D-01 EXPONENTS 0.9885630D-01 0.9885630D-01 0.3150000D-01 0.3150000D-01 0.3150000D-01 EXPONENTS 0.3150000D-01 0.4010000D+00 0.4010000D+00 0.4010000D+00 0.4010000D+00 EXPONENTS 0.4010000D+00 0.4010000D+00 0.4386650D+05 0.6605370D+04 0.1513260D+04 EXPONENTS 0.4323170D+03 0.1421490D+03 0.5139830D+02 0.5139830D+02 0.1991960D+02 EXPONENTS 0.8024740D+01 0.2508170D+01 0.8715310D+00 0.1081880D+00 0.4013000D-01 EXPONENTS 0.1460000D-01 0.1460000D-01 0.1460000D-01 0.1460000D-01 0.1938540D+03 EXPONENTS 0.4544200D+02 0.1418640D+02 0.5057510D+01 0.1938540D+03 0.4544200D+02 EXPONENTS 0.1418640D+02 0.5057510D+01 0.1938540D+03 0.4544200D+02 0.1418640D+02 EXPONENTS 0.5057510D+01 0.1888610D+01 0.7226520D+00 0.1888610D+01 0.7226520D+00 EXPONENTS 0.1888610D+01 0.7226520D+00 0.2364170D+00 0.2364170D+00 0.2364170D+00 EXPONENTS 0.9335800D-01 0.9335800D-01 0.9335800D-01 0.3480900D-01 0.3480900D-01 EXPONENTS 0.3480900D-01 0.1750000D+00 0.1750000D+00 0.1750000D+00 0.1750000D+00 EXPONENTS 0.1750000D+00 0.1750000D+00 0.4386650D+05 0.6605370D+04 0.1513260D+04 EXPONENTS 0.4323170D+03 0.1421490D+03 0.5139830D+02 0.5139830D+02 0.1991960D+02 EXPONENTS 0.8024740D+01 0.2508170D+01 0.8715310D+00 0.1081880D+00 0.4013000D-01 EXPONENTS 0.1460000D-01 0.1460000D-01 0.1460000D-01 0.1460000D-01 0.1938540D+03 EXPONENTS 0.4544200D+02 0.1418640D+02 0.5057510D+01 0.1938540D+03 0.4544200D+02 EXPONENTS 0.1418640D+02 0.5057510D+01 0.1938540D+03 0.4544200D+02 0.1418640D+02 EXPONENTS 0.5057510D+01 0.1888610D+01 0.7226520D+00 0.1888610D+01 0.7226520D+00 EXPONENTS 0.1888610D+01 0.7226520D+00 0.2364170D+00 0.2364170D+00 0.2364170D+00 EXPONENTS 0.9335800D-01 0.9335800D-01 0.9335800D-01 0.3480900D-01 0.3480900D-01 EXPONENTS 0.3480900D-01 0.1750000D+00 0.1750000D+00 0.1750000D+00 0.1750000D+00 EXPONENTS 0.1750000D+00 0.1750000D+00 MO 1 MO 0.0 OCC NO = 1.0000000 ORB. ENERGY = -46.827583 0.27972069D-05 0.51846009D-05 0.84728983D-05 0.11175651D-04 0.10144629D-04 0.62540737D-06 -0.72618894D-05 -0.18648090D-04 0.22054094D-07 0.37036945D-04 0.32779644D-04 0.25541147D-04 -0.49499018D-04 -0.43809233D-04 -0.34135150D-04 0.40529163D-04 0.35870440D-04 0.27949424D-04 0.78422860D-04 -0.15352995D-04 0.23707798D-04 -0.31753294D-04 -0.10225944D-03 -0.25550426D-04 0.35507657D-04 -0.12352043D-04 -0.53552595D-04 -0.34886546D-05 0.47248606D-05 -0.86630291D-06 -0.61937423D-06 -0.80893565D-05 0.87087307D-05 0.24500060D-04 -0.29326009D-04 0.36117411D-04 0.27065997D-05 0.50166612D-05 0.81984441D-05 0.10813649D-04 0.98160244D-05 0.60514916D-06 -0.70301218D-05 -0.18052925D-04 0.21350225D-07 -0.11893283D-04 -0.10526181D-04 -0.82017585D-05 -0.61125340D-04 -0.54099140D-04 -0.42152809D-04 0.40381216D-04 0.35739500D-04 0.27847399D-04 0.78701715D-04 0.49684077D-05 0.28847209D-04 -0.32653809D-04 -0.10392496D-03 0.81599339D-05 0.42983914D-04 -0.12829262D-04 -0.37380953D-04 0.88079347D-06 0.48589016D-05 -0.84578552D-06 0.74508221D-05 -0.15923900D-04 0.84730778D-05 -0.94785731D-05 0.98864029D-05 0.45824113D-04 0.30457340D-05 0.56452440D-05 0.92257011D-05 0.12168589D-04 0.11045963D-04 0.68097377D-06 -0.79023007D-05 -0.20292627D-04 0.23999000D-07 -0.49446980D-04 -0.43763177D-04 -0.34099264D-04 -0.26565669D-04 -0.23512014D-04 -0.18320022D-04 0.38967517D-04 0.34488301D-04 0.26872494D-04 0.76381601D-04 0.18008301D-04 0.11353727D-04 -0.28460531D-04 -0.75854059D-04 0.32934386D-04 0.17990586D-04 -0.11631428D-04 -0.33899472D-04 0.39851462D-05 0.20084299D-05 -0.81013346D-06 -0.98907342D-05 0.18138999D-05 0.80768342D-05 -0.17860824D-04 0.39200063D-04 0.19329851D-04 0.30563512D-05 0.56649228D-05 0.92578611D-05 0.12211008D-04 0.11084468D-04 0.68334758D-06 -0.79296312D-05 -0.20362810D-04 0.24082002D-07 -0.49754303D-04 -0.44035174D-04 -0.34311198D-04 0.24174374D-04 0.21395592D-04 0.16670955D-04 0.39506797D-04 0.34965593D-04 0.27244388D-04 0.76242854D-04 0.17956573D-04 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0.49369953D-04 0.43695004D-04 0.34046145D-04 0.41914437D-04 0.37096480D-04 0.28904727D-04 0.78434066D-04 -0.15059232D-04 -0.23377170D-04 -0.32557503D-04 -0.10307738D-03 -0.24847778D-04 -0.35867892D-04 -0.13361180D-04 -0.53477947D-04 -0.33768594D-05 -0.47817479D-05 -0.99202558D-06 -0.68821101D-07 -0.76602906D-05 0.77291118D-05 -0.23548791D-04 -0.29214526D-04 -0.37737402D-04 0.32742113D-05 0.60687249D-05 0.99177719D-05 0.13081422D-04 0.11874581D-04 0.73205737D-06 -0.84995802D-05 -0.21826405D-04 0.25812917D-07 0.50423238D-04 0.44627217D-04 0.34772504D-04 0.91142233D-07 0.80665668D-07 0.62852839D-07 0.37058211D-04 0.32798465D-04 0.25555812D-04 0.74752104D-04 -0.14847397D-04 0.17324125D-06 -0.25560149D-04 -0.51986449D-04 -0.31896014D-04 -0.24732296D-06 -0.11049754D-04 -0.95518439D-05 -0.28223808D-05 -0.19242479D-07 -0.73471061D-06 -0.12209642D-04 0.48739124D-05 0.73357292D-05 0.15872311D-06 -0.40935774D-04 -0.52939472D-06 -0.11153808D-01 -0.20697023D-01 -0.34954740D-01 -0.53761232D-01 -0.70424924D-01 -0.38317738D-01 -0.30321563D-01 -0.36658333D-01 -0.56454141D-02 -0.16924421D-03 0.30837606D-04 0.10633399D-03 0.10827517D-03 0.77161209D-06 0.90458947D-09 -0.13150984D-08 0.84915139D-07 -0.16222493D-06 -0.19572571D-06 -0.18631857D-06 -0.11980458D-06 0.48842550D-07 0.58928938D-07 0.56096645D-07 0.36070667D-07 -0.97720115D-05 -0.11790012D-04 -0.11223351D-04 -0.72167193D-05 0.10075703D-06 0.17931785D-07 -0.96676907D-07 -0.17205643D-07 0.11965752D-04 0.21295515D-05 -0.94399118D-08 -0.42213537D-06 0.31918389D-04 -0.66434378D-07 -0.14413055D-06 0.10682170D-04 -0.10942676D-07 -0.54914703D-07 0.40730791D-05 0.65578669D-05 0.69987305D-05 -0.13556597D-04 0.99248643D-09 -0.10726122D-06 0.52988111D-06 0.82186016D+00 0.15250450D+01 0.25756143D+01 0.39613569D+01 0.51892088D+01 0.28234143D+01 0.22350555D+01 0.27021499D+01 0.41613336D+00 0.11198805D-01 -0.20999540D-02 0.38330798D-03 0.27999789D-03 0.32545935D-05 0.68556997D-09 0.89220792D-08 -0.68952171D-06 0.17505746D-05 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-0.21218013D-06 0.51579256D+00 0.62230797D+00 0.59239807D+00 0.38091749D+00 0.20547475D-03 0.24790698D-03 0.23599186D-03 0.15174497D-03 -0.65070757D-03 -0.78508404D-03 -0.74735065D-03 -0.48055345D-03 0.14141768D+00 0.25168183D-01 0.56271317D-04 0.10014638D-04 -0.17875865D-03 -0.31813777D-04 -0.19771856D-01 -0.78673296D-05 0.27590517D-04 -0.13066646D-01 -0.50843838D-05 0.17681572D-04 0.91864854D-04 0.11844418D-06 -0.11882448D-08 0.16758799D-07 0.85748920D-05 -0.85916508D-05 -0.76641207D-04 0.57005927D-02 0.22508740D-05 MO 59 MO 0.0 OCC NO = 1.0000000 ORB. ENERGY = -0.180153 0.26903094D-02 0.49864673D-02 0.81490998D-02 0.10748565D-01 0.97569444D-02 0.60150693D-03 0.39798040D-02 0.10219894D-01 -0.12086520D-04 0.69979642D-01 0.61935663D-01 0.48258848D-01 -0.99846057D-01 -0.88369010D-01 -0.68855106D-01 -0.13948986D-02 -0.12345586D-02 -0.96193975D-03 -0.27288092D-02 0.19759275D-01 -0.34910769D-01 -0.47796674D-03 -0.11162809D-01 0.39806079D-02 -0.44146854D-02 -0.61014622D-04 0.15132879D-02 0.13633586D-02 0.12702943D-02 0.14990096D-04 -0.54802871D-02 0.63396177D-02 -0.85933070D-03 -0.64363943D-02 -0.75031828D-04 0.19522150D-03 -0.82898600D-03 -0.15365190D-02 -0.25110456D-02 -0.33120391D-02 -0.30064833D-02 -0.18534702D-03 -0.12210201D-02 -0.31355053D-02 0.37081937D-05 0.12167268D-01 0.10768672D-01 0.83907025D-02 0.38915523D-01 0.34442284D-01 0.26836638D-01 0.48831826D-03 0.43218733D-03 0.33675046D-03 0.66764559D-03 -0.14918665D-02 0.13669314D-01 0.17702052D-03 0.37795124D-02 0.16268110D-02 0.15729038D-02 0.17904081D-04 0.68616245D-04 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0.26434100D+00 0.25163602D+00 0.16180431D+00 0.81173432D-04 0.97936415D-04 0.93229311D-04 0.59947317D-04 -0.10999873D-02 -0.13271438D-02 -0.12633574D-02 -0.81235062D-03 0.60618889D-01 0.10788377D-01 0.21861192D-04 0.38906485D-05 -0.30152808D-03 -0.53663120D-04 -0.12194527D-01 -0.36963865D-05 0.54985749D-04 -0.62093598D-02 -0.26752967D-05 0.40916605D-04 0.38092050D-03 0.20713398D-06 0.31180222D-05 0.35288738D-04 -0.12099726D-04 -0.23189012D-04 -0.12960598D-03 0.99984306D-02 0.25109327D-05 END DATA TOTAL ENERGY = -573.984583670245 THE VIRIAL(-V/T)= 2.00346157

map