%chk=000096765.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096765

0 1
 S   -6.142100     -0.8186000     -0.5168000    
 S   -7.639100      0.4655000      0.1888000    
 O   -9.028700     -0.2438000     -0.2834000    
 O   -7.591300      0.4328000       1.638000    
 O   -7.510600       1.718100     -0.5307000    
 N   -2.189600     -0.1047000      5.4099999E-02
 C    5.343500     -0.1478000      0.2497000    
 C    5.652800       1.124500     -0.5508000    
 C    6.532800      -1.117200      0.2158000    
 C    4.080600     -0.8246000     -0.2797000    
 C    6.941600       1.790800     -7.4800000E-02
 C    7.820100     -0.4471000      0.6908000    
 C    8.119500      0.8217000     -0.1014000    
 C    2.817300     -0.1183000      0.2144000    
 C    1.556100     -0.8206000     -0.2935000    
 C   0.2595000     -0.1128000      0.1125000    
 C  -0.9988000     -0.8311000     -0.3742000    
 C   -3.398400     -0.7816000     -0.3928000    
 C   -4.625200      1.4900000E-02  3.3900000E-02
 H    5.183600      0.1341000       1.299700    
 H    5.748300      0.8826000      -1.617200    
 H    4.834100       1.846600     -0.4615000    
 H    6.326800      -1.987400      0.8505000    
 H    6.676800      -1.494500     -0.8048000    
 H    4.092300     -0.8650000      -1.375800    
 H    4.046900      -1.864100      7.1500003E-02
 H    7.163800       2.657500     -0.7075000    
 H    6.801900       2.167700      0.9459000    
 H    7.731300     -0.2003000       1.755900    
 H    8.657200      -1.147700      0.5943000    
 H    8.350500      0.5569000      -1.140600    
 H    9.009600       1.311500      0.3090000    
 H    2.805400      0.9220000     -0.1283000    
 H    2.803500     -9.8399997E-02   1.310800    
 H    1.538300      -1.849600      8.6599998E-02
 H    1.594500     -0.8882000      -1.388000    
 H   0.2300000     -2.6699999E-02   1.206500    
 H   0.2752000      0.9105000     -0.2845000    
 H   -1.010700      -1.848200      3.5399999E-02
 H  -0.9712000     -0.9080000      -1.467900    
 H   -2.165600      0.8441000     -0.3189000    
 H   -3.439800      -1.786900      4.4700000E-02
 H   -3.386200     -0.8856000      -1.485300    
 H   -4.658100      0.1169000       1.124100    
 H   -4.603600       1.020300     -0.4006000    
 H   -9.853400      0.2341000     -3.1199999E-02


%chk=000096765-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096765

0 1
S -5.978067 -1.233147 -0.936452
S -7.445755 0.804265 -0.892140
O -8.545427 0.249547 0.505074
O -6.502561 2.013231 -0.351619
O -8.421261 1.096575 -2.153710
N -2.268173 -0.443540 0.778301
C 5.369560 -0.253229 0.113832
C 5.555638 1.287592 0.076323
C 6.544752 -0.946837 -0.625155
C 4.008172 -0.699958 -0.478501
C 6.933966 1.725703 0.627703
C 7.924188 -0.515618 -0.073546
C 8.091541 1.021886 -0.118691
C 2.770042 -0.258411 0.335302
C 1.441465 -0.768969 -0.266939
C 0.207299 -0.356366 0.565977
C -1.119809 -0.841761 -0.053914
C -3.580350 -1.041258 0.578846
C -4.393598 -0.324477 -0.569968
H 5.404723 -0.573572 1.179988
H 5.456665 1.628365 -0.977029
H 4.750669 1.786696 0.649917
H 6.432953 -2.047555 -0.553157
H 6.487805 -0.691393 -1.705099
H 3.922833 -0.312980 -1.516834
H 4.001643 -1.807782 -0.559079
H 7.040413 2.825627 0.552012
H 6.991880 1.472824 1.707041
H 8.022068 -0.860413 0.977129
H 8.734066 -1.006866 -0.647665
H 8.099966 1.356319 -1.177069
H 9.065649 1.315464 0.318848
H 2.733515 0.847692 0.399911
H 2.867458 -0.630064 1.376922
H 1.477844 -1.875388 -0.348313
H 1.337914 -0.382986 -1.302646
H 0.289563 -0.761675 1.593003
H 0.185528 0.750330 0.659758
H -1.117515 -1.947343 -0.122333
H -1.190839 -0.455129 -1.098722
H -2.268565 0.541026 1.066468
H -4.182012 -0.984143 1.503609
H -3.439683 -2.108615 0.334677
H -4.680319 0.688775 -0.221237
H -3.805676 -0.235133 -1.498539
H -9.428768 0.706990 0.370418


