%chk=000061596.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000061596

0 1
 S    8.704900     -0.1458000      3.5999998E-02
 O    7.198000      0.4859000      7.6600000E-02
 O    9.667100       1.141500      0.3163000    
 O    8.833400      -1.042400       1.169500    
 O    8.979100     -0.6238000      -1.306400    
 C   -2.898100      0.4371000     -0.1792000    
 C   -1.597800     -0.3746000     -0.1680000    
 C   -4.192900     -0.3829000     -0.1707000    
 C  -0.3416000      0.4957000     -8.1699997E-02
 C   -5.458200      0.4772000     -0.1181000    
 C   0.9588000     -0.3157000     -7.8199998E-02
 C   -6.718700     -0.3907000     -0.1023000    
 C    2.248400      0.5011000      6.5800004E-02
 C   -8.015000      0.4209000     -1.6100001E-02
 C    3.517000     -0.3506000     -2.6900001E-02
 C   -9.311600     -0.3951000      2.8100001E-02
 C    4.804300      0.4695000      6.2600002E-02
 C   -10.59980      0.4155000      0.1849000    
 C    6.069400     -0.3759000      4.1999999E-03
 C   -11.84660     -0.4467000      0.3037000    
 H   -2.898800       1.090700      -1.060600    
 H   -2.902000       1.099300      0.6962000    
 H   -1.553600     -0.9911000      -1.074000    
 H   -1.614900      -1.064700      0.6844000    
 H   -4.179200      -1.057700      0.6941000    
 H   -4.218300      -1.016200      -1.065900    
 H  -0.3856000       1.102400      0.8310000    
 H  -0.3249000       1.194900     -0.9265000    
 H   -5.484000       1.147900     -0.9852000    
 H   -5.435300       1.107800      0.7787000    
 H    1.009100     -0.8940000      -1.009600    
 H   0.9175000      -1.047600      0.7384000    
 H   -6.674500      -1.078500      0.7512000    
 H   -6.745700      -1.010400      -1.007000    
 H    2.233500       1.031300       1.025600    
 H    2.272600       1.266800     -0.7192000    
 H   -8.062300       1.105100     -0.8728000    
 H   -7.972000       1.052200      0.8805000    
 H    3.506800      -1.096900      0.7770000    
 H    3.511900     -0.9048000     -0.9736000    
 H   -9.379400     -0.9972000     -0.8867000    
 H   -9.242600      -1.106500      0.8610000    
 H    4.808000       1.053200      0.9921000    
 H    4.829100       1.208900     -0.7480000    
 H   -10.70970       1.088800     -0.6733000    
 H   -10.52260       1.047900       1.077200    
 H    6.094500      -1.079600      0.8432000    
 H    6.108200     -0.9418000     -0.9328000    
 H   -11.78580      -1.103200       1.177500    
 H   -11.97550      -1.070600     -0.5864000    
 H   -12.73560      0.1826000      0.4111000    
 H    10.63430      0.9502000      0.3279000    


%chk=000061596-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000061596

0 1
S 8.907689 -0.069402 -0.255633
O 7.237948 0.696220 -0.229760
O 9.092545 -0.524092 1.520868
O 8.875694 -1.477642 -1.015988
O 9.923137 1.118219 -0.608672
C -2.880565 0.472155 -0.152360
C -1.578244 -0.348453 -0.016352
C -4.158800 -0.365486 0.076263
C -0.298188 0.504293 -0.166307
C -5.463304 0.439176 -0.119632
C 1.001621 -0.329024 -0.097221
C -6.740119 -0.386260 0.156616
C 2.281561 0.533529 -0.178020
C -8.045807 0.408287 -0.071203
C 3.577887 -0.307684 -0.144356
C -9.322341 -0.410526 0.225544
C 4.850557 0.575480 -0.194507
C -10.628195 0.380991 -0.014569
C 6.118978 -0.288738 -0.167783
C -11.898451 -0.443414 0.287161
H -2.918690 0.932636 -1.161886
H -2.861726 1.313944 0.571576
H -1.574020 -1.155352 -0.778951
H -1.565480 -0.855324 0.971380
H -4.139357 -0.788309 1.102731
H -4.157770 -1.233659 -0.616101
H -0.280753 1.278495 0.629179
H -0.331690 1.051423 -1.131652
H -5.497962 0.832177 -1.157472
H -5.450802 1.326919 0.547365
H 1.004453 -1.070564 -0.923103
H 1.012562 -0.913755 0.846344
H -6.715582 -0.758819 1.202294
H -6.742194 -1.286911 -0.492894
H 2.289577 1.255618 0.664502
H 2.259986 1.138138 -1.108193
H -8.076896 0.767428 -1.121438
H -8.037925 1.317157 0.566782
H 3.589191 -0.927038 0.775941
H 3.579187 -1.012881 -1.000473
H -9.328242 -1.324066 -0.405714
H -9.296850 -0.762000 1.278533
H 4.861896 1.269115 0.666796
H 4.848253 1.189749 -1.114170
H -10.653565 0.729911 -1.067288
H -10.620991 1.294638 0.614675
H 6.192440 -0.873796 0.768468
H 6.170019 -0.965888 -1.039945
H -11.911477 -0.779372 1.341416
H -11.946284 -1.345625 -0.351725
H -12.817041 0.145651 0.108981
H 9.387432 0.302130 2.005555


