%chk=000039377.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039377

0 1
 S   -2.923900      -1.780900     -7.7200003E-02
 O   -2.906000      -2.500800       1.389400    
 O   -4.159200      -1.018200     -0.1635000    
 O   -2.595100      -2.782000      -1.078400    
 C   -3.203900       1.288800     -1.1100000E-02
 C   -1.819000      0.7287000     -1.4800000E-02
 C    4.603500     -0.3823000      1.8000000E-03
 C    3.207600      0.1438000      4.4999998E-03
 C   -1.593300     -0.6443000     -4.2900000E-02
 C   0.8091000     -0.2616000     -1.9600000E-02
 C   0.5795000       1.134500      9.3000000E-03
 C  -0.7406000       1.613500      1.1200000E-02
 C   -3.180900       2.847600      2.3100000E-02
 C   -4.005800      0.8008000       1.234100    
 C   -4.081900      0.9104000      -1.248500    
 C    2.129200     -0.7408000     -2.2000000E-02
 C  -0.2884000      -1.137500     -4.5699999E-02
 C    2.982100       1.516800      3.3199999E-02
 C    5.571900      0.5804000      0.7563000    
 C    5.142900     -0.5474000      -1.452800    
 C    4.795100      -1.780100      0.6782000    
 C    1.677100       2.010500      3.5399999E-02
 H  -0.8492000       2.691900      3.2299999E-02
 H   -4.208600       3.235200      3.9200000E-02
 H   -2.700100       3.242800      0.9265000    
 H   -2.704100       3.283400     -0.8636000    
 H   -3.943900       1.593400       1.997100    
 H   -5.087400      0.7010000       1.081000    
 H   -3.600900     -4.1200001E-02   1.797400    
 H   -5.155700      0.7953000      -1.052700    
 H   -4.065000       1.765100      -1.944400    
 H   -3.679200      0.1312000      -1.908200    
 H    2.287300      -1.815000     -6.1000001E-02
 H  -0.1169000      -2.212500     -6.2799998E-02
 H    3.783600       2.246900      3.0099999E-02
 H    6.564500      0.1271000      0.8706000    
 H    5.736700       1.519300      0.2168000    
 H    5.202800      0.8130000       1.762100    
 H    5.118600      0.4074000      -1.990900    
 H    6.177600     -0.9084000      -1.457700    
 H    4.532100      -1.259100      -2.020500    
 H    5.855300      -2.053900      0.7374000    
 H    4.393600      -1.777400       1.698200    
 H    4.297300      -2.579700      0.1190000    
 H    1.525300       3.087800      5.2700002E-02
 H   -2.740900      -1.914000       2.163400    


%chk=000039377-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039377

0 1
S -2.828536 -2.064493 0.392795
O -3.018146 -1.878208 2.237370
O -4.286768 -1.920620 -0.288967
O -2.037890 -3.457336 0.141583
C -3.320745 1.445545 -0.044301
C -1.908040 0.800087 0.028274
C 4.737315 -0.408180 -0.084925
C 3.273581 0.086448 -0.080216
C -1.586289 -0.603169 0.159035
C 0.832674 -0.273753 0.038255
C 0.582339 1.137812 -0.084757
C -0.764960 1.615041 -0.087873
C -3.238566 2.999444 -0.035851
C -4.201261 1.040094 1.175569
C -4.007590 1.030696 -1.384192
C 2.176038 -0.773833 0.038598
C -0.297749 -1.132757 0.168575
C 3.007538 1.499163 -0.204117
C 5.504132 0.245477 1.105045
C 5.415600 0.007052 -1.426149
C 4.840141 -1.947996 0.056109
C 1.711748 2.011849 -0.206806
H -0.905209 2.693742 -0.189281
H -4.267515 3.400076 -0.057978
H -2.748536 3.386838 0.876770
H -2.715111 3.401454 -0.922845
H -3.686515 1.259895 2.128008
H -5.140705 1.622822 1.146897
H -4.478956 -0.023128 1.169283
H -4.994269 1.525556 -1.455617
H -3.398669 1.350947 -2.249905
H -4.174713 -0.056305 -1.442930
H 2.321948 -1.854094 0.134744
H -0.155960 -2.215235 0.265584
H 3.850918 2.192238 -0.299854
H 6.558423 -0.088846 1.104695
H 5.500628 1.348494 1.042229
H 5.050108 -0.041002 2.071119
H 5.406106 1.102167 -1.571507
H 6.470481 -0.325284 -1.434434
H 4.900061 -0.454384 -2.287993
H 5.903343 -2.249252 0.041955
H 4.404658 -2.303172 1.008333
H 4.334443 -2.471339 -0.776356
H 1.545843 3.091377 -0.302833
H -3.542565 -2.672427 2.550863


