TITLE GAUSSIAN 1 MOL ORBITALS 108 PRIMITIVES 1 NUCLEI H 1 (CENTRE 1) 0.00000000 0.00000000 0.00000000 CHARGE = 1.0 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 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 TYPE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 2 3 4 2 3 4 2 3 4 2 3 TYPE ASSIGNMENTS 4 2 3 4 5 6 7 8 9 10 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 11 12 13 17 14 15 18 19 16 20 23 29 TYPE ASSIGNMENTS 32 27 22 28 35 34 26 31 33 30 25 24 21 23 29 32 27 22 28 35 TYPE ASSIGNMENTS 34 26 31 33 30 25 24 21 EXPONENTS 0.4020000D+03 0.6024000D+02 0.1373000D+02 0.3905000D+01 0.1283000D+01 EXPONENTS 0.4655000D+00 0.1811000D+00 0.7279000D-01 0.2070000D-01 0.4516000D+01 EXPONENTS 0.4516000D+01 0.4516000D+01 0.1712000D+01 0.1712000D+01 0.1712000D+01 EXPONENTS 0.6490000D+00 0.6490000D+00 0.6490000D+00 0.2460000D+00 0.2460000D+00 EXPONENTS 0.2460000D+00 0.7440000D-01 0.7440000D-01 0.7440000D-01 0.2950000D+01 EXPONENTS 0.2950000D+01 0.2950000D+01 0.2950000D+01 0.2950000D+01 0.2950000D+01 EXPONENTS 0.1206000D+01 0.1206000D+01 0.1206000D+01 0.1206000D+01 0.1206000D+01 EXPONENTS 0.1206000D+01 0.4930000D+00 0.4930000D+00 0.4930000D+00 0.4930000D+00 EXPONENTS 0.4930000D+00 0.4930000D+00 0.1560000D+00 0.1560000D+00 0.1560000D+00 EXPONENTS 0.1560000D+00 0.1560000D+00 0.1560000D+00 0.2506000D+01 0.2506000D+01 EXPONENTS 0.2506000D+01 0.2506000D+01 0.2506000D+01 0.2506000D+01 0.2506000D+01 EXPONENTS 0.2506000D+01 0.2506000D+01 0.2506000D+01 0.8750000D+00 0.8750000D+00 EXPONENTS 0.8750000D+00 0.8750000D+00 0.8750000D+00 0.8750000D+00 0.8750000D+00 EXPONENTS 0.8750000D+00 0.8750000D+00 0.8750000D+00 0.2740000D+00 0.2740000D+00 EXPONENTS 0.2740000D+00 0.2740000D+00 0.2740000D+00 0.2740000D+00 0.2740000D+00 EXPONENTS 0.2740000D+00 0.2740000D+00 0.2740000D+00 0.2358000D+01 0.2358000D+01 EXPONENTS 0.2358000D+01 0.2358000D+01 0.2358000D+01 0.2358000D+01 0.2358000D+01 EXPONENTS 0.2358000D+01 0.2358000D+01 0.2358000D+01 0.2358000D+01 0.2358000D+01 EXPONENTS 0.2358000D+01 0.2358000D+01 0.2358000D+01 0.5430000D+00 0.5430000D+00 EXPONENTS 0.5430000D+00 0.5430000D+00 0.5430000D+00 0.5430000D+00 0.5430000D+00 EXPONENTS 0.5430000D+00 0.5430000D+00 0.5430000D+00 0.5430000D+00 0.5430000D+00 EXPONENTS 0.5430000D+00 0.5430000D+00 0.5430000D+00 MO 1 MO 0.0 OCC NO = 0.5000000 ORB. ENERGY = -0.499995 0.17847953D-01 0.33356946D-01 0.56927795D-01 0.88830874D-01 0.12236073D+00 0.13273483D+00 0.86573897D-01 0.17437863D-01 0.53592708D-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 -0.24530685D-15 -0.18163065D-15 0.42693750D-15 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.20096994D-15 0.87715272D-16 -0.28868521D-15 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.50580016D-16 -0.33042587D-16 0.83622603D-16 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.12877321D-16 -0.13742602D-17 -0.11503061D-16 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.96487465D-15 0.00000000D+00 0.26738312D-14 0.00000000D+00 -0.11123286D-14 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.31154166D-14 0.00000000D+00 0.40001405D-14 0.00000000D+00 0.00000000D+00 -0.11859262D-14 0.26119195D-16 0.00000000D+00 -0.56950703D-16 0.00000000D+00 0.23553873D-16 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 -0.99764469D-16 0.00000000D+00 -0.84372537D-16 0.00000000D+00 0.00000000D+00 0.30689501D-16 END DATA TOTAL ENERGY = -0.499994784584 THE VIRIAL(-V/T)= 2.00002883