%chk=000118196.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118196

1 1
 S   0.4122000      -4.097700      0.2025000    
 S    2.935600       2.686200       1.202700    
 S   -1.764800      5.2999999E-02  0.1001000    
 O  -0.4689000      -4.931400     -0.8858000    
 O  -0.4709000      -3.576100       1.224500    
 O    1.600100      -4.858900      0.5291000    
 N    2.617100      0.6162000     -0.1772000    
 N   -3.793200       1.740900     -0.3546000    
 C    1.555500      -1.624300     -9.5700003E-02
 C   0.8810000      -2.762900     -0.8720000    
 C    1.998500     -0.4377000     -0.9539000    
 C    3.970900      0.6589000      6.8700001E-02
 C    1.945900       1.602300      0.3475000    
 C    1.813200      -3.295500      -1.956800    
 C    4.343900       1.757000      0.8338000    
 C   0.5364000       1.790700      0.2390000    
 C    4.924800     -0.2690000     -0.3727000    
 C  -6.0300000E-02   2.474300     -0.7610000    
 C    5.683100       1.972400       1.188300    
 C   -2.400400       1.651000     -0.3885000    
 C   -4.386000      0.5332000      6.1600000E-02
 C   -1.516400       2.599500     -0.7356000    
 C   -4.624700       2.881500     -0.6874000    
 C    6.261700     -5.8300000E-02 -2.1600001E-02
 C   -3.454100     -0.4890000      0.3507000    
 C    6.633400       1.044900      0.7465000    
 C   0.6714000       3.106800      -1.920400    
 C   -5.744000      0.2663000      0.2077000    
 C   -3.850300      -1.749500      0.7760000    
 C   -4.883900       3.717900      0.5508000    
 C   -6.153200      -1.001400      0.6358000    
 C   -5.213600      -2.001100      0.9177000    
 H   0.8874000      -1.271800      0.6975000    
 H    2.431800      -2.020300      0.4348000    
 H  -4.3400001E-02  -2.390400      -1.327700    
 H    1.139300     -4.5899998E-02  -1.509900    
 H    2.694900     -0.7518000      -1.737200    
 H    1.403600      -4.187700      -2.442000    
 H    1.964900      -2.556300      -2.749200    
 H    2.794800      -3.564400      -1.551200    
 H   1.7000000E-03   1.515400       1.142800    
 H    4.669900      -1.143400     -0.9623000    
 H    5.980400       2.828200       1.785800    
 H   -1.879400       3.574400      -1.053700    
 H   -4.124200       3.507400      -1.435900    
 H   -5.567800       2.587200      -1.161000    
 H    7.019800     -0.7647000     -0.3494000    
 H    7.678900       1.187600       1.007800    
 H   -1.337500      -4.530600      -1.125400    
 H   0.2714000       2.728600      -2.867600    
 H    1.745900       2.904600      -1.921300    
 H   0.5389000       4.194000      -1.901000    
 H   -6.504900       1.013400      8.7000001E-03
 H   -3.127200      -2.527600      0.9948000    
 H   -3.947200       4.072700      0.9938000    
 H   -5.419600       3.147800       1.316700    
 H   -5.489800       4.593300      0.2965000    
 H   -7.212800      -1.212900      0.7531000    
 H   -5.551500      -2.979000       1.249300    


%chk=000118196-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118196

1 1
S -0.748850 -2.614826 -1.540780
S 2.992050 1.995500 2.208970
S -1.779310 0.479458 1.759053
O -1.141720 -2.890174 -3.339192
O -1.600565 -1.350005 -0.987974
O -0.830558 -4.021093 -0.748693
N 2.892689 0.922469 -0.220964
N -3.649165 1.006810 -0.026681
C 1.604307 -1.166882 -0.772282
C 1.126176 -2.050744 -1.935174
C 2.333101 0.090550 -1.322233
C 4.244677 0.740350 0.203527
C 2.076113 1.594232 0.685913
C 1.915592 -3.324420 -2.209905
C 4.488193 1.241915 1.509735
C 0.707014 1.895986 0.592811
C 5.295041 0.131824 -0.519272
C -0.074704 2.189718 -0.570094
C 5.748603 1.144401 2.121635
C -2.314547 1.269692 0.219033
C -4.308846 0.213656 0.945795
C -1.475289 2.017328 -0.637983
C -4.355594 1.479671 -1.248614
C 6.565447 0.033858 0.088036
C -3.450919 -0.186565 2.001858
C 6.794555 0.531792 1.394531
C 0.576043 2.849454 -1.783112
C -5.665787 -0.183843 0.949329
C -3.899976 -0.987248 3.064416
C -4.977804 2.878541 -1.071489
C -6.124032 -0.986136 2.013939
C -5.254972 -1.387837 3.060945
H 0.750841 -0.816697 -0.160968
H 2.278119 -1.744958 -0.115682
H 0.910605 -1.474820 -2.853255
H 1.637052 0.686076 -1.927031
H 3.167197 -0.195193 -1.982078
H 1.512492 -3.874038 -3.075552
H 2.964223 -3.049766 -2.435307
H 1.921808 -3.993950 -1.332376
H 0.212027 2.011151 1.565685
H 5.152217 -0.247905 -1.534780
H 5.921739 1.533565 3.128993
H -1.961178 2.446251 -1.521145
H -3.641836 1.458560 -2.088152
H -5.129274 0.731120 -1.485427
H 7.386899 -0.430669 -0.465826
H 7.787758 0.447330 1.845098
H -1.935779 -3.495742 -3.398848
H 0.351214 2.320024 -2.728264
H 1.666876 2.954140 -1.673955
H 0.169050 3.872951 -1.893321
H -6.355340 0.119879 0.156917
H -3.227933 -1.295658 3.870267
H -4.208804 3.640001 -0.854403
H -5.711707 2.889453 -0.247538
H -5.500231 3.172830 -1.998473
H -7.171659 -1.301738 2.031657
H -5.635037 -2.011625 3.875281


