%chk=000161811.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161811

0 1
 S   0.6771000      -3.675600      0.6852000    
 S    4.952700      0.7665000      -1.395000    
 O   -1.764800       2.607300      0.5086000    
 O   -4.274300      -1.964400     -0.6518000    
 O   0.8848000      -4.187500     -0.8516000    
 O    1.992800      -3.350800       1.210400    
 O  -0.1870000      -4.622600       1.368100    
 O    4.079300      0.3759000      -2.495300    
 O    6.066900       1.668500      -1.659700    
 N   0.4752000       1.395600       1.076300    
 N   -2.181600      -3.401900     -0.1502000    
 C   -1.594200      0.2486000      0.3520000    
 C   -2.249100     -0.9468000      4.8599999E-02
 C  -0.2531000      0.2276000      0.7534000    
 C   -1.562800      -2.163200      0.1463000    
 C  -0.2264000      -2.179500      0.5465000    
 C   -3.721100       1.546700     -0.1714000    
 C   -2.306100       1.539100      0.2525000    
 C   -4.376200      0.3512000     -0.4745000    
 C   -3.664100     -0.9392000     -0.3758000    
 C   0.4270000     -0.9867000      0.8494000    
 C    1.838000       1.725400      0.9711000    
 C   -4.407400       2.763100     -0.2689000    
 C   -5.717500      0.3721000     -0.8753000    
 C    2.623100       1.154500     -3.3700000E-02
 C   -5.743900       2.779400     -0.6686000    
 C   -6.397500       1.586500     -0.9714000    
 C    3.975000       1.481800     -0.1379000    
 C    2.413500       2.625600       1.871200    
 C    4.546300       2.381000      0.7626000    
 C    3.765500       2.952700       1.767200    
 C    5.554400     -0.6703000     -0.6354000    
 C    6.355600      -1.460100      -1.352700    
 H    1.457200      -1.005600       1.191700    
 H  -8.8600002E-02   2.122100       1.507000    
 H   -3.922700       3.708100     -3.9200000E-02
 H   -6.252000     -0.5425000      -1.117300    
 H   -1.667600      -4.269900     -0.1059000    
 H   -3.147600      -3.433300     -0.4438000    
 H    2.181000      0.4691000     -0.7517000    
 H   -6.275900       3.723400     -0.7441000    
 H   -7.438100       1.602100      -1.282400    
 H    1.816600       3.077500       2.659600    
 H    5.598400       2.645400      0.7052000    
 H    4.210700       3.651200       2.469600    
 H    1.401700      -3.581700      -1.433200    
 H    5.284500     -0.9142000      0.3854000    
 H    6.753900      -2.370000     -0.9165000    
 H    6.634300      -1.230300      -2.375300    


%chk=000161811-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161811

0 1
S 1.230357 -3.203769 -0.063111
S 4.669745 -0.243995 -1.246367
O -2.000670 2.808354 0.778813
O -4.250325 -1.995974 -0.787932
O 1.760415 -2.972163 -1.759547
O 2.477523 -2.850545 0.925349
O 0.498873 -4.646092 -0.028281
O 3.384453 -0.950403 -2.032406
O 5.965880 0.300206 -2.068786
N 0.368667 1.765549 0.853978
N -1.946821 -3.193107 -0.633062
C -1.679515 0.460014 0.304514
C -2.262431 -0.805783 -0.079461
C -0.281020 0.550815 0.600993
C -1.444898 -1.998711 -0.212876
C -0.066861 -1.841047 0.166221
C -3.954361 1.581389 0.098704
C -2.511585 1.677603 0.408002
C -4.528554 0.335081 -0.284560
C -3.697115 -0.893577 -0.398328
C 0.474250 -0.659134 0.622646
C 1.760683 1.942452 0.690677
C -4.771627 2.737622 0.192651
C -5.915188 0.261876 -0.570411
C 2.475991 1.114257 -0.218765
C -6.146793 2.655245 -0.093031
C -6.719780 1.413351 -0.475390
C 3.866440 1.151178 -0.218134
C 2.491547 2.916884 1.424748
C 4.631096 2.079408 0.506264
C 3.898419 2.997635 1.303151
C 5.251366 -1.539828 0.015198
C 6.573875 -1.754150 0.098646
H 1.501498 -0.667555 0.993850
H -0.294239 2.558958 1.002637
H -4.302286 3.679990 0.490311
H -6.330023 -0.706807 -0.864238
H -1.348217 -4.027884 -0.632878
H -2.957013 -3.203854 -0.857630
H 1.967545 0.443883 -0.916772
H -6.776182 3.548504 -0.021526
H -7.790464 1.351713 -0.697277
H 1.962540 3.588502 2.109322
H 5.723581 2.098691 0.462483
H 4.440600 3.757558 1.875302
H 2.497464 -2.227297 -1.816578
H 4.399482 -2.035457 0.500614
H 6.964341 -2.522782 0.775479
H 7.285239 -1.184905 -0.513904


