[Molden Format] [N_ATOMS] 4 [ATOMS] (AU) H1 1 1 0.00000000 2.47554122 0.00000000 H1 2 1 0.00000000 -2.47554122 0.00000000 H2 3 1 -2.47554122 0.00000000 0.00000000 H2 4 1 2.47554122 0.00000000 0.00000000 [CHARGE] (MULLIKEN) 1.2434497875801753E-014 1.2434497875801753E-014 -1.2878587085651816E-014 -1.2878587085651816E-014 [GTO] (AU) 1 s 3 0.342525091E+01 0.154328971E+00 0.623913730E+00 0.535328142E+00 0.168855400E+00 0.444634542E+00 2 s 3 0.342525091E+01 0.154328971E+00 0.623913730E+00 0.535328142E+00 0.168855400E+00 0.444634542E+00 3 s 3 0.342525091E+01 0.154328971E+00 0.623913730E+00 0.535328142E+00 0.168855400E+00 0.444634542E+00 4 s 3 0.342525091E+01 0.154328971E+00 0.623913730E+00 0.535328142E+00 0.168855400E+00 0.444634542E+00 [MO] Sym= 1ag Ene= -0.3600 Spin= Alpha Occup= 2.00000 1 0.43167178 2 0.43167178 3 0.43167178 4 0.43167178 Sym= 2ag Ene= 0.2149 Spin= Alpha Occup= 0.00000 1 -0.58235299 2 -0.58235299 3 0.58235299 4 0.58235299 Sym= 1b3u Ene= -0.0649 Spin= Alpha Occup= 1.00000 1 0.00000000 2 0.00000000 3 0.72146229 4 -0.72146229 Sym= 1b2u Ene= -0.0649 Spin= Alpha Occup= 1.00000 1 0.72146229 2 -0.72146229 3 0.00000000 4 0.00000000