%chk=000093771.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093771

0 1
 S   1.8000000E-03  -1.835900      2.3000001E-03
 O    3.042200      -1.361300      7.2700001E-02
 O   -3.042300      -1.368900     -7.8900002E-02
 O   0.5070000      -1.117300      -1.154800    
 O  -0.5191000      -1.116100       1.151500    
 O    4.573800      9.6000001E-02 -0.6375000    
 O   -4.550700      7.9599999E-02  0.6442000    
 O    7.298300     -0.7085000     -0.9102000    
 O    4.553100       2.827700      0.1879000    
 O   -7.301200     -0.7028000      0.9106000    
 O   -4.549900       2.828200     -0.1887000    
 O    4.646700     -0.6219000       1.552500    
 O   -4.649500     -0.6217000      -1.552100    
 N    5.682800      0.8655000     -0.3432000    
 N   -5.683000      0.8681000      0.3429000    
 C    1.266600      -2.932700      0.5657000    
 C   -1.273300      -2.938000     -0.5643000    
 C    2.467600      -2.176500       1.099600    
 C   -2.472900      -2.179900      -1.098600    
 C    7.875500       1.480500     -5.3199999E-02
 C    6.964200       2.654300      0.3115000    
 C   -7.874600       1.486700      5.2800000E-02
 C   -6.961300       2.658800     -0.3123000    
 C    6.944400      0.3867000     -0.5013000    
 C    5.566900       2.161000      4.9699999E-02
 C   -6.945400      0.3914000      0.5013000    
 C   -5.564900       2.163100     -5.0400000E-02
 C    4.133500     -0.6328000      0.4412000    
 C   -4.136300     -0.6332000     -0.4408000    
 H   0.8371000      -3.571200       1.342700    
 H    1.554700      -3.546300     -0.2940000    
 H  -0.8423000      -3.576500      -1.340500    
 H   -1.560300      -3.549900      0.2969000    
 H    2.169600      -1.536900       1.938800    
 H    3.219100      -2.893600       1.449200    
 H   -2.172200      -1.544000      -1.939600    
 H   -3.223200      -2.897500      -1.450100    
 H    8.454300       1.143100      0.8116000    
 H    8.556300       1.744700     -0.8676000    
 H    7.172400       3.527500     -0.3136000    
 H    7.069600       2.926500       1.365800    
 H   -8.454000       1.150000     -0.8119000    
 H   -8.555000       1.752400      0.8671000    
 H   -7.168000       3.532500      0.3125000    
 H   -7.066200       2.931000      -1.366600    


%chk=000093771-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093771

0 1
S 0.001096 -1.488449 0.003435
O 3.357811 -1.134696 -0.154119
O -3.357442 -1.129362 0.154144
O -0.124140 -0.701826 -1.423708
O 0.128413 -0.708836 1.434397
O 4.973558 0.310520 -0.649513
O -4.975048 0.313579 0.649741
O 7.583419 -0.876127 -1.025012
O 5.287853 2.857738 0.717618
O -7.584266 -0.876115 1.019733
O -5.289848 2.862760 -0.713643
O 5.036873 -0.804318 1.461879
O -5.034796 -0.798059 -1.463443
N 6.208488 0.898710 -0.261411
N -6.209966 0.901315 0.261044
C 1.549439 -2.719281 -0.063084
C -1.550784 -2.716036 0.065259
C 2.679374 -2.117667 0.739587
C -2.677173 -2.111014 -0.739796
C 8.520646 1.227212 -0.015539
C 7.763328 2.463013 0.544840
C -8.522125 1.228301 0.013109
C -7.765156 2.464828 -0.546148
C 7.450083 0.251376 -0.512456
C 6.267717 2.170210 0.381721
C -7.451319 0.252355 0.509202
C -6.269541 2.173902 -0.379931
C 4.497361 -0.587851 0.369802
C -4.496885 -0.583002 -0.370300
H 1.181870 -3.649240 0.400171
H 1.764201 -2.836663 -1.135362
H -1.184393 -3.646872 -0.397145
H -1.768080 -2.832648 1.137097
H 2.298400 -1.588305 1.635412
H 3.409750 -2.888218 1.047091
H -2.292360 -1.579545 -1.632804
H -3.407546 -2.879620 -1.052053
H 9.130684 0.716693 0.748682
H 9.190508 1.476578 -0.855922
H 8.000405 3.394053 0.002325
H 7.969358 2.645253 1.612800
H -9.132205 0.718318 -0.751400
H -9.191924 1.476845 0.853824
H -8.004496 3.395862 -0.004670
H -7.969243 2.646231 -1.614653


