%chk=000060667.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060667

0 1
 S    2.399300       1.598400      0.3211000    
 S   -4.407300      0.3789000     -0.3258000    
 O    2.952100       2.460200     -0.7075000    
 O    2.729700       1.845300       1.712600    
 O   -5.778300      0.6907000     -0.6848000    
 O   -3.645800     -0.5862000      -1.093700    
 N    2.737700     -4.7600001E-02 -6.6399999E-02
 N   0.6649000      -3.055500      0.7468000    
 N   -3.538600       1.856800     -0.1598000    
 C    4.123700     -0.3923000     -0.4736000    
 C    2.131900      -1.100000      0.7884000    
 C    1.274100      -2.015600     -7.2499998E-02
 C    4.246300     -0.2948000      -1.990900    
 C    5.123300      0.5308000      0.2176000    
 C   0.6357000       1.674300      0.1786000    
 C  -0.1678000      -3.934300     -6.2600002E-02
 C  -0.1132000       2.031100       1.284400    
 C   4.6200000E-02   1.375800      -1.035500    
 C   -1.277500      -3.135300     -0.7404000    
 C  -0.7463000      -5.038100      0.8170000    
 C   -2.117000       1.794300     -4.4399999E-02
 C   -1.502200       2.091600       1.171900    
 C   -1.342800       1.436400      -1.148100    
 C   -4.428200     -0.1651000       1.367700    
 H    4.364400      -1.423800     -0.1899000    
 H    1.507500     -0.6443000       1.566000    
 H    2.902900      -1.663300       1.327900    
 H   0.5215000      -1.390000     -0.5574000    
 H    1.890900      -2.463900     -0.8613000    
 H    3.527900     -0.9621000      -2.479500    
 H    5.250900     -0.5832000      -2.317400    
 H    4.052800      0.7185000      -2.356300    
 H    6.138000      0.1504000      4.5600001E-02
 H    5.127200       1.555000     -0.1622000    
 H    4.978600      0.5465000       1.302700    
 H    1.392800      -3.597900       1.211300    
 H   0.4422000      -4.417800     -0.8364000    
 H   0.3401000       2.268500       2.241100    
 H   0.6401000       1.099100      -1.901500    
 H   -2.026900      -3.811900      -1.167600    
 H   -1.798200      -2.484000     -2.9200001E-02
 H  -0.9101000      -2.526600      -1.572400    
 H   4.9899999E-02  -5.624400       1.289300    
 H   -1.355800      -5.727900      0.2232000    
 H   -1.381000      -4.627600       1.610700    
 H   -2.095800       2.370700       2.038700    
 H   -1.805800       1.213700      -2.105900    
 H   -3.976800       2.553500      0.4578000    
 H   -3.407400     -0.3720000       1.693200    
 H   -5.021100      -1.081300       1.418000    
 H   -4.890700      0.6075000       1.984500    


%chk=000060667-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000060667

0 1
S 2.480079 1.685103 0.375085
S -4.721936 1.134116 -0.680768
O 3.163583 2.697030 -0.700651
O 2.891543 1.799412 1.958174
O -6.180590 1.558721 -0.117223
O -4.327042 1.236184 -2.246807
N 2.626633 -0.083867 -0.339207
N 0.774949 -3.113405 0.947231
N -3.581156 2.191154 0.300355
C 4.006798 -0.395012 -0.880102
C 2.126007 -1.057692 0.678060
C 1.380362 -2.201412 -0.044923
C 4.169643 0.159460 -2.308580
C 5.172681 0.016542 0.054518
C 0.603141 1.825770 0.324887
C -0.123966 -4.167545 0.400114
C -0.054526 2.129562 1.528153
C -0.071699 1.665185 -0.897730
C -1.470222 -3.555413 -0.050168
C -0.348054 -5.238056 1.487634
C -2.177256 2.065541 0.293518
C -1.458715 2.234389 1.513231
C -1.474035 1.793902 -0.918040
C -4.315576 -0.654644 -0.109878
H 3.991326 -1.504527 -0.941796
H 1.403102 -0.566282 1.352630
H 2.945270 -1.453845 1.316668
H 0.580406 -1.745303 -0.653993
H 2.071060 -2.719542 -0.756275
H 3.337549 -0.179784 -2.950275
H 5.119038 -0.202058 -2.745296
H 4.179757 1.261402 -2.299679
H 6.119734 -0.411046 -0.320982
H 5.280664 1.115141 0.080179
H 5.017727 -0.339687 1.088737
H 1.492978 -3.528962 1.558234
H 0.340388 -4.665706 -0.489091
H 0.524716 2.254505 2.449335
H 0.484534 1.454627 -1.815855
H -2.132212 -4.340760 -0.459302
H -1.967818 -3.080352 0.815744
H -1.328987 -2.791952 -0.837362
H 0.604223 -5.721860 1.778547
H -1.029911 -6.027334 1.125587
H -0.791312 -4.776679 2.389163
H -1.999925 2.443333 2.443008
H -2.026586 1.714375 -1.859138
H -4.076426 2.583144 1.108988
H -3.241074 -0.805232 -0.281212
H -4.936311 -1.305231 -0.741464
H -4.594556 -0.704213 0.951116


