[Molden Format] [Title] output-oh-radical [Atoms] (AU) O 1 8 0.000000000000 0.000000000000 0.000000000000 H 2 1 1.833000000000 0.000000000000 0.000000000000 [GTO] 1 0 s 6 1.00 5.4846717000E+03 1.8310998055E-03 8.2523495000E+02 1.3950098518E-02 1.8804696000E+02 6.8445092731E-02 5.2964500000E+01 2.3271427528E-01 1.6897570000E+01 4.7019295006E-01 5.7996353000E+00 3.5852086192E-01 s 3 1.00 1.5539616000E+01 -1.1077750383E-01 3.5999336000E+00 -1.4802630511E-01 1.0137618000E+00 1.1307670390E+00 p 3 1.00 1.5539616000E+01 7.0874299543E-02 3.5999336000E+00 3.3975279781E-01 1.0137618000E+00 7.2715859531E-01 s 1 1.00 2.7000580000E-01 1.0000000000E+00 p 1 1.00 2.7000580000E-01 1.0000000000E+00 d 1 1.00 8.0000000000E-01 1.0000000000E+00 2 0 s 3 1.00 1.8731137000E+01 3.3494599523E-02 2.8253937000E+00 2.3472694666E-01 6.4012170000E-01 8.1375731841E-01 s 1 1.00 1.6127780000E-01 1.0000000000E+00 [5D] [MO] Sym= A Ene= -20.6343496762 Spin= Alpha Occup= 1.00000000 1 -9.955726919663E-01 2 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