%chk=000112878.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112878

0 1
 S    3.625700       3.745300     -0.1701000    
 S    5.071700      -2.862200      0.8423000    
 S   -8.325400      0.7657000       1.176400    
 O   -2.189100      0.9467000      -1.940300    
 O    4.933000       4.115500      -1.074200    
 O    5.436000      -3.243000     -0.7022000    
 O    2.463400       4.290100     -0.8489000    
 O    3.913900       4.082000       1.211800    
 O    6.125900      -3.405000       1.680600    
 O    3.678800      -3.193400       1.079800    
 O   -8.042600       1.393100       2.659600    
 O   -8.786600       1.859700      0.3339000    
 O   -9.130900     -0.4344000       1.340200    
 N   -3.016800     -0.9715000     -0.8185000    
 N   -2.573000      -2.247000     -0.5434000    
 N   0.2144000     -0.5867000      -1.056400    
 N    1.204900     -0.4313000      -1.805500    
 C    4.265900     -0.2591000      0.2810000    
 C    4.431200       1.142400      0.3886000    
 C  -0.9355000      -1.131600      -1.777000    
 C    3.509700       1.993000     -0.2434000    
 C    5.187400      -1.109800      0.9130000    
 C    3.183900     -0.7685000     -0.4553000    
 C   -1.398200      -2.363900      -1.076500    
 C    2.277900      9.1499999E-02  -1.076600    
 C   -2.099500     -0.2091000      -1.561200    
 C    2.440500       1.469600     -0.9709000    
 C    5.513200       1.651800       1.124800    
 C   -4.257100     -0.5658000     -0.3525000    
 C    6.256600     -0.5863000       1.640500    
 C    6.419100      0.7919000       1.746300    
 C  -0.5779000      -3.605800      -1.015000    
 C   -4.719100      0.7304000     -0.6081000    
 C   -5.061200      -1.448000      0.3789000    
 C   -6.762900      0.2542000      0.5892000    
 C   -5.967500       1.139000     -0.1389000    
 C   -6.309700      -1.039500      0.8481000    
 H  -0.7764000      -1.322200      -2.843100    
 H    3.023800      -1.827100     -0.6209000    
 H    1.719000       2.110200      -1.470300    
 H    5.738900       2.706900       1.214200    
 H    6.988400      -1.217500       2.135200    
 H    7.258800       1.198300       2.303000    
 H  -0.3182000      -3.919200      -2.029300    
 H   -1.136000      -4.406500     -0.5227000    
 H   0.3396000      -3.411300     -0.4538000    
 H   -4.162200       1.473100      -1.162500    
 H   -4.743800      -2.463100      0.6030000    
 H   -6.298100       2.153100     -0.3457000    
 H   -6.908200      -1.743400       1.419500    
 H    4.877700       3.857700      -2.024400    
 H    6.341700      -2.989700     -0.9987000    
 H   -7.448200       2.179700       2.679500    


%chk=000112878-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000112878

0 1
S 5.855707 2.902071 -2.090070
S 3.153182 -1.349229 2.919588
S -8.380247 -0.925462 1.895142
O -2.179394 1.624184 -0.389681
O 6.913835 1.486279 -2.660100
O 3.096252 -2.719508 1.665930
O 5.087741 3.556648 -3.351106
O 6.758443 3.836108 -1.124837
O 3.875260 -1.867793 4.268964
O 1.677814 -0.689574 2.999925
O -7.723513 -1.721596 3.442666
O -8.933616 0.547083 2.274664
O -9.331372 -1.991269 1.134180
N -3.063154 -0.521436 -0.984270
N -2.666014 -1.632923 -1.808556
N 0.304874 -0.013293 -1.274570
N 1.129505 0.878249 -1.734167
C 3.991099 0.358654 0.727334
C 5.028577 1.163472 0.083733
C -1.003604 0.049158 -1.970696
C 4.643887 1.810681 -1.133562
C 4.378154 -0.291012 1.943997
C 2.696366 0.247382 0.137929
C -1.504946 -1.336552 -2.356367
C 2.405635 0.907692 -1.064252
C -2.122373 0.532433 -0.998133
C 3.391484 1.714188 -1.711756
C 6.329524 1.261904 0.676054
C -4.303733 -0.604398 -0.293351
C 5.638264 -0.205911 2.515341
C 6.625890 0.592255 1.862850
C -0.772769 -2.286452 -3.247872
C -4.725927 0.453779 0.558512
C -5.114398 -1.757451 -0.477891
C -6.734590 -0.801239 1.028438
C -5.958841 0.350589 1.231049
C -6.345379 -1.861440 0.193924
H -0.958104 0.742954 -2.836139
H 1.909191 -0.339237 0.619954
H 3.141095 2.237420 -2.640452
H 7.092048 1.880221 0.195775
H 5.858887 -0.737010 3.447087
H 7.623063 0.674481 2.304674
H -0.586289 -1.837021 -4.241202
H -1.348173 -3.216157 -3.378934
H 0.214732 -2.533161 -2.814307
H -4.098110 1.336623 0.691321
H -4.768821 -2.554184 -1.138453
H -6.310898 1.154823 1.884065
H -6.992351 -2.733704 0.060757
H 7.650964 1.862859 -3.224365
H 2.448759 -3.408172 1.997573
H -8.496718 -1.848005 4.066761


