%chk=000118603.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118603

0 1
 S   -8.354300      -2.100700      0.3179000    
 S    8.743000      -1.479900      0.5164000    
 O   -1.899200     -0.2874000      -1.210300    
 O    2.437900      0.6378000       1.802600    
 O   -9.216100      -1.680400      -1.006500    
 O   -7.996600      -3.503300      0.1639000    
 O   -9.081300      -1.645500       1.492700    
 O    9.706800     -0.3533000     -0.1729000    
 O    8.992800      -1.432300       1.949900    
 O    8.900900      -2.722600     -0.2229000    
 N   -3.372800       1.104400      1.6000001E-02
 N   -3.332900       2.350300      0.6026000    
 N    3.204000      0.4120000     -0.4418000    
 N    2.677400      0.6101000      -1.716300    
 C   -1.254100       1.920800     -0.3888000    
 C   -2.149300       2.834200      0.3952000    
 C   -2.168000      0.7399000     -0.6094000    
 C  -6.4599998E-02   1.505600      0.3986000    
 C    1.095600       1.122000     -0.1445000    
 C   -4.536600      0.3556000      8.6800002E-02
 C    1.450500       1.025200      -1.560400    
 C    2.301500      0.7023000      0.5962000    
 C   -1.705100       4.165200      0.9007000    
 C    4.498500     -3.0400001E-02 -0.2180000    
 C   -4.599000     -0.9117000     -0.5039000    
 C   -5.662300      0.8589000      0.7496000    
 C   0.5244000       1.356700      -2.679900    
 C   -6.888000      -1.157100      0.2293000    
 C   -5.770600      -1.665400     -0.4330000    
 C   -6.833900      0.1051000      0.8206000    
 C    5.187300      0.3562000      0.9372000    
 C    5.129500     -0.8679000      -1.144800    
 C    7.112500     -0.9232000      0.2343000    
 C    6.490000     -8.8600002E-02   1.162500    
 C    6.432200      -1.312900     -0.9196000    
 H   -1.068500       2.460400      -1.311300    
 H  -0.1539000       1.500500       1.483300    
 H   -2.559600       4.729200       1.284100    
 H   -1.240600       4.727800      8.6700000E-02
 H  -0.9779000       4.029600       1.705200    
 H   -3.778800      -1.374200      -1.035100    
 H   -5.661400       1.838000       1.221600    
 H   0.3497000       2.433500      -2.728200    
 H  -0.3940000      0.7802000      -2.659700    
 H    1.023800       1.090200      -3.619600    
 H   -5.793400      -2.643000     -0.9066000    
 H   -7.693900      0.5248000       1.334700    
 H    4.762500       1.040300       1.665000    
 H    4.618200      -1.189100      -2.049000    
 H    7.007100      0.2408000       2.059400    
 H    6.898500      -1.956900      -1.659700    
 H   -8.787500      -1.882400      -1.871300    
 H    9.635200      0.5539000      0.2070000    


%chk=000118603-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118603

0 1
S -8.653655 -2.051939 0.438791
S 9.033019 -1.380259 0.491522
O -1.988181 -0.359683 -1.264519
O 2.439367 0.872918 1.826764
O -9.394333 -1.443882 -1.154846
O -8.370988 -3.639063 0.301199
O -9.533412 -1.471812 1.666486
O 9.793636 0.317509 0.413564
O 9.231844 -1.954645 1.991662
O 9.545005 -2.227260 -0.788968
N -3.467225 1.054916 -0.021545
N -3.425321 2.366169 0.572998
N 3.309203 0.404960 -0.367101
N 2.814859 0.450967 -1.713772
C -1.313902 1.927190 -0.420677
C -2.223411 2.866151 0.360590
C -2.255226 0.697003 -0.642792
C -0.035770 1.563050 0.289660
C 1.127638 1.134789 -0.281612
C -4.680649 0.312927 0.072618
C 1.552819 0.880004 -1.670365
C 2.327182 0.803843 0.572272
C -1.839966 4.225898 0.854697
C 4.649248 -0.011703 -0.151200
C -4.768913 -0.996085 -0.475762
C -5.792231 0.903926 0.731732
C 0.756660 1.007577 -2.936096
C -7.059453 -1.096167 0.280668
C -5.979066 -1.708995 -0.372003
C -7.000921 0.192267 0.835658
C 5.175995 -0.080025 1.169029
C 5.450249 -0.361901 -1.272205
C 7.275419 -0.820284 0.234131
C 6.509883 -0.486518 1.362424
C 6.782552 -0.768546 -1.080086
H -1.092943 2.341844 -1.422663
H -0.044904 1.606920 1.389717
H -2.674790 4.683269 1.408314
H -1.564589 4.889615 0.013383
H -0.958262 4.171926 1.520512
H -3.907613 -1.441824 -0.976285
H -5.696331 1.906936 1.150136
H 0.487268 2.061251 -3.143284
H -0.173755 0.414889 -2.871589
H 1.354291 0.639970 -3.785429
H -6.071928 -2.721771 -0.775651
H -7.868027 0.620198 1.347676
H 4.548347 0.184756 2.021989
H 5.020147 -0.308330 -2.273598
H 6.936528 -0.556336 2.367586
H 7.416539 -1.052657 -1.925415
H -10.295157 -1.871143 -1.250938
H 10.778826 0.210489 0.559123


