[Molden Format] [N_Atoms] 4 [Atoms] (AU) C 1 6 0.00000000 0.00000000 0.00000000 O 2 8 0.00000000 0.00000000 2.27334053 H 3 1 0.00000000 1.76601898 -1.09284563 H 4 1 0.00000000 -1.76601898 -1.09284563 [Charge] (Mulliken) 7.8496072847300091E-002 -0.19190175549350030 0.11340568264615714 0.11340568264615714 [GTO] (AU) 1 s 3 7.161683735E+01 1.543289673E-01 1.304509632E+01 5.353281423E-01 3.530512160E+00 4.446345422E-01 s 3 2.941249355E+00 -9.996722919E-02 6.834830964E-01 3.995128261E-01 2.222899159E-01 7.001154689E-01 p 3 2.941249355E+00 1.559162750E-01 6.834830964E-01 6.076837186E-01 2.222899159E-01 3.919573931E-01 2 s 3 1.307093214E+02 1.543289673E-01 2.380886605E+01 5.353281423E-01 6.443608313E+00 4.446345422E-01 s 3 5.033151319E+00 -9.996722919E-02 1.169596125E+00 3.995128261E-01 3.803889600E-01 7.001154689E-01 p 3 5.033151319E+00 1.559162750E-01 1.169596125E+00 6.076837186E-01 3.803889600E-01 3.919573931E-01 3 s 3 3.425250914E+00 1.543289673E-01 6.239137298E-01 5.353281423E-01 1.688554040E-01 4.446345422E-01 4 s 3 3.425250914E+00 1.543289673E-01 6.239137298E-01 5.353281423E-01 1.688554040E-01 4.446345422E-01 [MO] Sym= 1a1 Ene= 0.0000 Spin= Alpha Occup= 2.00000 1 0.00625286 2 -0.00136825 3 0.00000000 4 0.00000000 5 -0.02174169 6 1.02723028 7 -0.22516854 8 0.00000000 9 0.00000000 10 -0.04665762 11 0.00473580 12 0.00473580 Sym= 2a1 Ene= 0.0000 Spin= Alpha Occup= 2.00000 1 1.01782273 2 -0.10926743 3 0.00000000 4 0.00000000 5 0.00885586 6 0.00000000 7 -0.00324749 8 0.00000000 9 0.00000000 10 0.07473412 11 -0.05352819 12 -0.05352819 Sym= 3a1 Ene= 0.0000 Spin= Alpha Occup= 2.00000 1 0.00000000 2 -0.08959434 3 0.00000000 4 0.00000000 5 -0.00744243 6 0.00000000 7 0.98598261 8 0.00000000 9 0.00000000 10 0.27303161 11 -0.01044726 12 -0.01044726 Sym= 4a1 Ene= 0.0000 Spin= Alpha Occup= 2.00000 1 0.00000000 2 -0.26869934 3 0.00000000 4 0.00000000 5 -0.44126724 6 0.00000000 7 0.00000000 8 0.00000000 9 0.00000000 10 0.66303747 11 0.09862664 12 0.09862664 Sym= 5a1 Ene= 0.0000 Spin= Alpha Occup= 2.00000 1 0.00000000 2 0.57125736 3 0.00000000 4 0.00000000 5 -0.28294313 6 0.00000000 7 0.00000000 8 0.00000000 9 0.00000000 10 0.00000000 11 0.28952034 12 0.28952034 Sym= 6a1 Ene= 0.6281 Spin= Alpha Occup= 0.00000 1 0.20362630 2 -1.28090321 3 0.00000000 4 0.00000000 5 0.48438221 6 -0.02367598 7 0.13020027 8 0.00000000 9 0.00000000 10 -0.20516405 11 0.89624064 12 0.89624064 Sym= 7a1 Ene= 0.9308 Spin= Alpha Occup= 0.00000 1 -0.10438596 2 0.71506992 3 0.00000000 4 0.00000000 5 1.16472829 6 0.11862116 7 -0.89805929 8 0.00000000 9 0.00000000 10 0.94024833 11 0.10844317 12 0.10844317 Sym= 1b1 Ene= 0.0000 Spin= Alpha Occup= 2.00000 1 0.00000000 2 0.00000000 3 0.60930390 4 0.00000000 5 0.00000000 6 0.00000000 7 0.00000000 8 0.67286703 9 0.00000000 10 0.00000000 11 0.00000000 12 0.00000000 Sym= 2b1 Ene= 0.2875 Spin= Alpha Occup= 0.00000 1 0.00000000 2 0.00000000 3 -0.82282767 4 0.00000000 5 0.00000000 6 0.00000000 7 0.00000000 8 0.77171664 9 0.00000000 10 0.00000000 11 0.00000000 12 0.00000000 Sym= 1b2 Ene= 0.0000 Spin= Alpha Occup= 2.00000 1 0.00000000 2 0.00000000 3 0.00000000 4 0.07967826 5 0.00000000 6 0.00000000 7 0.00000000 8 0.00000000 9 0.97556471 10 0.00000000 11 -0.18797963 12 0.18797963 Sym= 2b2 Ene= 0.0000 Spin= Alpha Occup= 2.00000 1 0.00000000 2 0.00000000 3 0.00000000 4 0.55722377 5 0.00000000 6 0.00000000 7 0.00000000 8 0.00000000 9 0.00000000 10 0.00000000 11 0.42823080 12 -0.42823080 Sym= 3b2 Ene= 0.7455 Spin= Alpha Occup= 0.00000 1 0.00000000 2 0.00000000 3 0.00000000 4 -1.15897504 5 0.00000000 6 0.00000000 7 0.00000000 8 0.00000000 9 0.32467137 10 0.00000000 11 0.84438365 12 -0.84438365