8 MOLECULAR CALCULATION OF ***** 3.50000 -1.00000 1 SCFSQGRN 10 30020000 199999 0 0 -3 0 0.1000000000D-05 8 2 4 8 2 0 1 6.0 1 6.0 2 1.0 2 1.0 2 1.0 2 1.0 2 1.0 2 1.0 18.00000 0 0 0.00000 0 0 0.00000 0 0 0.00000 0 C HFS ATOM CALC. 1 300 3 6.00000 0.70000 20.00000 32.00000 0.00000 1.0 0.0 -10.680000 2.00000 2.0 0.0 -0.640000 2.00000 2.0 1.0 -0.330000 2.00000 000 H HFS ATOM CALC. 2 300 1 1.00000 0.70000 20.00000 32.00000 0.00000 1.0 0.0 -0.300000 1.00000 0 8 1 1 1 1 1 1 1 1 1 1 1 1 2 0 2 0 0.0000000000D+00 0.0000000000D+00 0.1450460000D+01 1 0.0000000000D+00 0.0000000000D+00 -0.1450460000D+01 1 0.1927840000D+01 0.0000000000D+00 0.2197050000D+01 2 -0.9639100000D+00 0.1669550000D+01 0.2197050000D+01 2 -0.9639100000D+00 -0.1669550000D+01 0.2197050000D+01 2 -0.1927840000D+01 0.0000000000D+00 -0.2197050000D+01 2 0.9639100000D+00 0.1669550000D+01 -0.2197050000D+01 2 0.9639100000D+00 -0.1669550000D+01 -0.2197050000D+01 2 0.7000000000D+00 0.0000000000D+00 0.0000000000D+00 0.0000000000D+00 0.1433704668D+00 0.1000000000D+01 0.1320000052D+01 0.2867409335D+00 0.1000000000D+01 0.1320000052D+01 0.4056174446D+00 0.1000000000D+01 0.4720000029D+00 0.5244939557D+00 0.1000000000D+01 0.4720000029D+00 0.6433704668D+00 0.1000000000D+01 0.4720000029D+00 0.7622469778D+00 0.1000000000D+01 0.4720000029D+00 0.8811234889D+00 0.1000000000D+01 0.4720000029D+00 0.1000000000D+01 0.1000000000D+01 0.4720000029D+00 1 1 3 100 0.00000 1.32000 -1.00000 0.00000 0.00000 1.0 0.0 -10.680000 2.00000 2.0 0.0 -0.640000 2.00000 2.0 1.0 -0.330000 2.00000 1 100 0.00000 0.47200 -1.00000 0.00000 0.00000 1.0 0.0 -0.300000 1.00000 WELLSCCS 99999 0.3000000 0 0 0 0 AAAASCCS 99999 0.3000000 0 0 0 0