%chk=000154196.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154196

0 1
 S    3.805300       2.474500     -2.8999999E-02
 O   -7.339200      0.7425000       1.061500    
 O   -7.601900     -0.4168000     -0.8651000    
 C    5.498500     -0.3462000     -1.5600000E-02
 C    6.106300       1.048500      0.2832000    
 C    3.964400     -0.3636000      5.0799999E-02
 C    5.510300       2.172900     -0.5415000    
 C    6.116800      -1.308400       1.030700    
 C    5.937300     -0.8161000      -1.421100    
 C    3.171800      0.8028000      4.7699999E-02
 C    3.294200      -1.608200      7.9000004E-02
 C    1.768500      0.6982000      0.1158000    
 C    1.139000     -0.5427000      0.1629000    
 C    1.903000      -1.698400      0.1383000    
 C  -0.3104000     -0.6258000      0.2458000    
 C   -1.164300      0.2930000     -0.2838000    
 C  -0.8710000      -1.832200      0.9716000    
 C   -2.631900      0.2457000     -0.2220000    
 C   -3.337100     -0.3937000      -1.231100    
 C   -3.289400      0.8423000      0.8442000    
 C   -4.729900     -0.4376000      -1.172900    
 C   -4.682400      0.7984000      0.9025000    
 C   -5.402800      0.1584000     -0.1061000    
 C   -6.855000      0.1124000     -4.5600001E-02
 H    7.187700       1.019700      9.1399997E-02
 H    6.003600       1.285800       1.352100    
 H    6.077100       3.094700     -0.3754000    
 H    5.543400       1.963100      -1.614200    
 H    5.751900      -1.082400       2.039600    
 H    5.888400      -2.359100      0.8242000    
 H    7.210100      -1.224100       1.044100    
 H    5.479500     -0.2162000      -2.215000    
 H    7.025400     -0.7542000      -1.537200    
 H    5.651100      -1.858300      -1.606100    
 H    3.854000      -2.539600      4.3099999E-02
 H    1.177900       1.612800      0.1489000    
 H    1.461300      -2.690700      0.1480000    
 H  -0.7875000       1.152900     -0.8329000    
 H  -0.3008000      -2.037500       1.885500    
 H  -0.8390000      -2.718900      0.3291000    
 H   -1.907500      -1.706200       1.297100    
 H   -2.824600     -0.8617000      -2.067700    
 H   -2.739100       1.344200       1.635800    
 H   -5.273400     -0.9408000      -1.968300    
 H   -5.164100       1.275600       1.751200    
 H   -8.319000      0.7101000       1.100100    


%chk=000154196-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154196

0 1
S 3.664398 2.250026 -0.854800
O -7.599152 0.414681 0.759330
O -7.556801 0.655896 -1.550178
C 5.528574 -0.365399 -0.200799
C 6.036969 1.051044 0.224646
C 4.015714 -0.465938 0.074734
C 5.552627 2.202989 -0.660300
C 6.345007 -1.409533 0.604949
C 5.775948 -0.604450 -1.721677
C 3.134653 0.622633 -0.190887
C 3.423171 -1.651580 0.580901
C 1.744160 0.511084 0.041116
C 1.158836 -0.691893 0.518923
C 2.037708 -1.773889 0.800840
C -0.320457 -0.787197 0.715060
C -1.153244 -0.132351 -0.169651
C -0.821856 -1.630688 1.875512
C -2.619502 -0.001692 -0.170367
C -3.270128 0.219732 -1.425014
C -3.437802 -0.025529 1.001559
C -4.662281 0.365605 -1.515184
C -4.832943 0.128781 0.918276
C -5.460980 0.315065 -0.340976
C -6.927381 0.478178 -0.476864
H 7.145326 1.051581 0.189044
H 5.744436 1.234814 1.276492
H 5.822459 3.177519 -0.221091
H 5.976195 2.136658 -1.675060
H 6.164849 -1.315729 1.691824
H 6.108789 -2.445208 0.302631
H 7.424745 -1.257262 0.421444
H 5.168409 0.073100 -2.347170
H 6.843699 -0.453865 -1.972917
H 5.501686 -1.640144 -1.991646
H 4.061744 -2.511070 0.804905
H 1.106169 1.387306 -0.119902
H 1.643894 -2.728772 1.163096
H -0.668941 0.324730 -1.044582
H -0.816588 -1.050706 2.819764
H -0.168101 -2.502436 2.045933
H -1.845223 -2.001947 1.705742
H -2.660924 0.262816 -2.335678
H -2.974241 -0.121341 1.986574
H -5.156048 0.522535 -2.479778
H -5.448576 0.118621 1.822181
H -8.572495 0.532325 0.592644


