%chk=000118868.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118868

0 1
 S    3.913300      -2.142600     -6.0699999E-02
 O   -2.794600      -2.224100      0.3102000    
 O   -2.152700       2.473500     -0.2149000    
 C   0.2984000     -0.1792000      7.4999998E-03
 C    1.723900     -0.3631000     -8.5000005E-03
 C  -0.5813000      -1.278300      0.1306000    
 C    2.589600      0.7758000     -9.6299998E-02
 C  -0.2303000       1.112700     -0.1076000    
 C    2.198900      -1.692200      5.7799999E-02
 C    4.085400      0.6624000     -2.6400000E-02
 C   -2.046300      -1.069800      0.1608000    
 C   -2.588100      0.1587000      5.1100001E-02
 C   -1.693300       1.342000     -0.1008000    
 C    1.981900       2.042000     -0.2388000    
 C   0.6031000       2.214100     -0.2439000    
 C  -5.5399999E-02  -2.568800      0.2215000    
 C    1.314700      -2.772600      0.1770000    
 C    4.748900     -0.5789000     -1.5200000E-02
 C   -4.045200      0.3753000      7.8900002E-02
 C    4.917400       1.806500      5.5900000E-02
 C    6.156600     -0.6540000      4.3900002E-02
 C    6.313200       1.727800      0.1177000    
 C    6.935600      0.4935000      0.1067000    
 C   -4.691100      0.6030000       1.292200    
 C   -4.771800      0.3536000      -1.109500    
 C   -3.109200      -2.776900     -0.9503000    
 C   -6.070300      0.8101000       1.317000    
 C   -6.151000      0.5607000      -1.084600    
 C   -6.800300      0.7889000      0.1286000    
 H    2.564600       2.951000     -0.3533000    
 H   0.2065000       3.220400     -0.3495000    
 H  -0.6892000      -3.445200      0.3272000    
 H    1.683100      -3.795700      0.2324000    
 H    4.508200       2.812000      8.6599998E-02
 H    6.663400      -1.617700      4.6799999E-02
 H    6.904600       2.636800      0.1774000    
 H    8.017400      0.4213000      0.1544000    
 H   -4.135100      0.6232000       2.226300    
 H   -4.279400      0.1832000      -2.063700    
 H   -3.398200      -3.821400     -0.7953000    
 H   -2.267800      -2.769200      -1.652900    
 H   -3.965700      -2.269200      -1.400600    
 H   -6.575900      0.9881000       2.261600    
 H   -6.719100      0.5456000      -2.010100    
 H   -7.874100      0.9506000      0.1478000    


%chk=000118868-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000118868

0 1
S 4.077022 -2.082370 0.658788
O -2.621783 -2.413122 0.072962
O -2.125227 2.369206 -0.797947
C 0.394594 -0.250750 -0.052060
C 1.834929 -0.393025 0.084967
C -0.480196 -1.382967 0.099626
C 2.692498 0.764859 -0.101946
C -0.176621 1.023264 -0.365292
C 2.325792 -1.709461 0.398420
C 4.177054 0.698475 -0.001196
C -1.927884 -1.200528 -0.040287
C -2.526298 0.044121 -0.251524
C -1.651230 1.214997 -0.500218
C 2.066181 2.001198 -0.397896
C 0.671375 2.130739 -0.527846
C 0.067760 -2.649632 0.380180
C 1.459351 -2.808821 0.536779
C 4.886546 -0.492873 0.331476
C -3.993447 0.281898 -0.128756
C 4.985933 1.854528 -0.240131
C 6.299604 -0.527250 0.433083
C 6.386089 1.832818 -0.144531
C 7.055558 0.633107 0.198359
C -4.691634 -0.207972 1.010842
C -4.710235 1.051762 -1.083510
C -3.809068 -2.675112 -0.767168
C -6.069250 0.047593 1.181967
C -6.090115 1.300279 -0.915911
C -6.776782 0.799869 0.214946
H 2.666951 2.902203 -0.532186
H 0.211110 3.097129 -0.756794
H -0.601711 -3.506237 0.483855
H 1.870502 -3.796960 0.767810
H 4.511949 2.799670 -0.512364
H 6.798920 -1.467069 0.693532
H 6.956786 2.746892 -0.337679
H 8.146993 0.602973 0.277224
H -4.142512 -0.776909 1.770071
H -4.179767 1.463537 -1.945899
H -3.773239 -3.756125 -0.977358
H -3.758313 -2.095830 -1.705441
H -4.734758 -2.416843 -0.227951
H -6.586648 -0.332073 2.070514
H -6.627316 1.893702 -1.664367
H -7.846163 1.001009 0.345860


