[Molden Format] [N_Atoms] 3 [Atoms] (AU) O 1 8 0.00000000 0.00000000 0.22112630 H 2 1 0.00000000 1.43828756 -0.88450521 H 3 1 0.00000000 -1.43828756 -0.88450521 [Charge] (Mulliken) -0.36434027227337751 0.36434027227337418 0.36434027227337418 [GTO] (AU) 1 s 3 0.130709320E+03 0.154328969E+00 0.238088610E+02 0.535328136E+00 0.644360830E+01 0.444634536E+00 s 3 0.503315130E+01 -0.999672287E-01 0.116959610E+01 0.399512825E+00 0.380389000E+00 0.700115461E+00 p 3 0.503315130E+01 0.155916268E+00 0.116959610E+01 0.607683714E+00 0.380389000E+00 0.391957386E+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 [MO] Sym= 1a1 Ene= -20.2420 Spin= Alpha Occup= 2.00000 1 0.99413526 2 0.02650797 3 0.00000000 4 0.00000000 5 -0.00430678 6 -0.00594350 7 -0.00594350 Sym= 2a1 Ene= -1.2665 Spin= Alpha Occup= 2.00000 1 -0.23292492 2 0.83460265 3 0.00000000 4 0.00000000 5 -0.12821846 6 0.15859835 7 0.15859835 Sym= 3a1 Ene= -0.4517 Spin= Alpha Occup= 2.00000 1 -0.10278557 2 0.53480240 3 0.00000000 4 0.00000000 5 0.77731824 6 -0.27852459 7 -0.27852459 Sym= 4a1 Ene= 0.6022 Spin= Alpha Occup= 0.00000 1 0.13216476 2 -0.88072556 3 0.00000000 4 0.00000000 5 0.74005140 6 0.79553508 7 0.79553508 Sym= 1b1 Ene= -0.3908 Spin= Alpha Occup= 2.00000 1 0.00000000 2 0.00000000 3 1.00000000 4 0.00000000 5 0.00000000 6 0.00000000 7 0.00000000 Sym= 1b2 Ene= -0.6171 Spin= Alpha Occup= 2.00000 1 0.00000000 2 0.00000000 3 0.00000000 4 0.60579441 5 0.00000000 6 0.44496978 7 -0.44496978 Sym= 2b2 Ene= 0.7402 Spin= Alpha Occup= 0.00000 1 0.00000000 2 0.00000000 3 0.00000000 4 -0.99009028 5 0.00000000 6 0.83585356 7 -0.83585356