Generated by Multiwfn GAUSSIAN 1 MOL ORBITALS 216 PRIMITIVES 2 NUCLEI H 1 (CENTRE 1) 0.00000000 0.00000000 -0.47243153 CHARGE = 1.0 H 2 (CENTRE 2) 0.00000000 0.00000000 0.47243153 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 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 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 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 1 1 1 1 1 1 1 1 1 2 3 4 TYPE ASSIGNMENTS 2 3 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 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 11 12 13 17 TYPE ASSIGNMENTS 14 15 18 19 16 20 23 29 32 27 22 28 35 34 26 31 33 30 25 24 TYPE ASSIGNMENTS 21 23 29 32 27 22 28 35 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 0.4020000D+03 0.6024000D+02 EXPONENTS 0.1373000D+02 0.3905000D+01 0.1283000D+01 0.4655000D+00 0.1811000D+00 EXPONENTS 0.7279000D-01 0.2070000D-01 0.4516000D+01 0.4516000D+01 0.4516000D+01 EXPONENTS 0.1712000D+01 0.1712000D+01 0.1712000D+01 0.6490000D+00 0.6490000D+00 EXPONENTS 0.6490000D+00 0.2460000D+00 0.2460000D+00 0.2460000D+00 0.7440000D-01 EXPONENTS 0.7440000D-01 0.7440000D-01 0.2950000D+01 0.2950000D+01 0.2950000D+01 EXPONENTS 0.2950000D+01 0.2950000D+01 0.2950000D+01 0.1206000D+01 0.1206000D+01 EXPONENTS 0.1206000D+01 0.1206000D+01 0.1206000D+01 0.1206000D+01 0.4930000D+00 EXPONENTS 0.4930000D+00 0.4930000D+00 0.4930000D+00 0.4930000D+00 0.4930000D+00 EXPONENTS 0.1560000D+00 0.1560000D+00 0.1560000D+00 0.1560000D+00 0.1560000D+00 EXPONENTS 0.1560000D+00 0.2506000D+01 0.2506000D+01 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 0.8750000D+00 0.8750000D+00 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 0.2740000D+00 0.2740000D+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 0.2358000D+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 0.2358000D+01 0.2358000D+01 EXPONENTS 0.2358000D+01 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 0.5430000D+00 0.5430000D+00 EXPONENTS 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 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 THE HF ENERGY = -0.499994784584 THE VIRIAL(-V/T)= 2.00002883