%chk=000067209.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067209

0 1
 S    2.843800       1.701300     -6.0899999E-02
 O   0.1259000       1.648000     -3.9200000E-02
 O  -0.6925000      -3.631000      2.8999999E-02
 O    2.449000       2.278200       1.413000    
 O    4.290600       1.755200     -0.1742000    
 O    1.987200       2.341900      -1.041900    
 O   -2.346900       2.806700       1.072400    
 O   -2.365600       2.784800      -1.122700    
 N   -2.404300       2.194600     -1.8800000E-02
 C    1.088200     -0.4994000     -2.2000000E-02
 C   0.8716000      -1.878800     -4.8000002E-03
 C   -1.426800     -0.1040000     -3.8000001E-03
 C   -1.643600      -1.483400      1.3700000E-02
 C  -5.2999999E-02  0.4385000     -2.2399999E-02
 C    2.395400      1.8000000E-03 -3.8899999E-02
 C  -0.5023000      -2.421200      1.4100000E-02
 C   -2.517300      0.7743000     -3.5999999E-03
 C    1.961900      -2.757000     -5.1000002E-03
 C    3.479100     -0.8768000     -3.9000001E-02
 C   -2.950600      -1.984700      3.1500001E-02
 C    3.262900      -2.253300     -2.2299999E-02
 C   -3.818200      0.2705000      1.4300000E-02
 C   -4.034400      -1.106000      3.1599998E-02
 H    1.819900      -3.834300      8.2999999E-03
 H    4.512700     -0.5459000     -4.6999998E-02
 H   -3.146000      -3.053600      4.5400001E-02
 H    4.107800      -2.936100     -2.1199999E-02
 H   -4.678200      0.9367000      1.5100000E-02
 H   -5.048100      -1.495900      4.5499999E-02
 H    2.556200       3.251600       1.527300    


%chk=000067209-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000067209

0 1
S 3.014094 1.808091 -0.244506
O 0.140212 1.651486 0.721537
O -0.702416 -3.682042 0.072010
O 2.614850 2.563027 1.358517
O 4.624804 1.783662 -0.302854
O 2.148120 2.455653 -1.441575
O -2.945221 2.947609 0.953184
O -1.859722 2.784614 -1.055793
N -2.409682 2.283993 -0.010916
C 1.123059 -0.461160 0.070385
C 0.889686 -1.873104 0.045720
C -1.407175 -0.058868 0.092300
C -1.642931 -1.464559 0.048604
C -0.026049 0.467000 0.291124
C 2.471848 -0.032010 -0.013093
C -0.500339 -2.429348 0.070229
C -2.537334 0.797984 0.051389
C 1.972676 -2.783343 -0.011026
C 3.552653 -0.923238 -0.076372
C -2.960873 -1.976683 -0.008967
C 3.297941 -2.315333 -0.056229
C -3.852205 0.297577 0.011927
C -4.062391 -1.099433 -0.019160
H 1.742188 -3.852961 -0.017951
H 4.570463 -0.523736 -0.149002
H -3.090480 -3.062698 -0.034725
H 4.134334 -3.019544 -0.093490
H -4.694285 0.995795 -0.000008
H -5.082771 -1.492130 -0.054235
H 1.601346 2.536398 1.376374