%chk=000036989.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036989

0 1
 S   -3.351400      -1.031600      -1.605100    
 O    4.012300      -1.972100       1.896100    
 O    4.171400       3.658000     -0.7731000    
 N   0.3665000      -2.047700     -0.3389000    
 C    2.747700      -2.563700     -7.6200001E-02
 C    2.944300      -1.537800       1.051700    
 C    1.634200      -2.175500      -1.049400    
 C    3.273200     -0.1462000      0.5634000    
 C  -0.7031000      -1.668200      -1.250700    
 C   -2.006800      -1.504800     -0.4793000    
 C    2.461300      0.9123000      0.9357000    
 C    4.379800      4.3000001E-02 -0.2479000    
 C    2.764800       2.196700      0.4839000    
 C    4.683200       1.327400     -0.6995000    
 C    3.875600       2.404300     -0.3336000    
 C   -4.397200     -6.5800004E-02 -0.5211000    
 C   -4.941600     -0.6527000      0.6170000    
 C   -4.659800       1.266900     -0.8224000    
 C   -5.756600      0.1005000       1.462100    
 C   -5.474700       2.020200      2.2600001E-02
 C   -6.023100       1.436900       1.164900    
 H    2.529400      -3.544000      0.3689000    
 H    3.681600      -2.710400     -0.6332000    
 H    2.049600      -1.510500       1.685000    
 H    1.557100      -2.956900      -1.815500    
 H    1.887200      -1.241800      -1.563900    
 H   0.1364000      -2.928500      0.1204000    
 H  -0.8207000      -2.435500      -2.026300    
 H  -0.4484000     -0.7215000      -1.743700    
 H   -1.881700     -0.7316000      0.2877000    
 H   -2.286000      -2.437000      2.3900000E-02
 H    1.592800      0.7635000       1.570700    
 H    5.024400     -0.7821000     -0.5349000    
 H    3.780100      -2.854500       2.232500    
 H    2.127400       3.027100      0.7758000    
 H    5.551100       1.483300      -1.334500    
 H   -4.749300      -1.693600      0.8644000    
 H   -4.240500       1.737700      -1.707900    
 H   -6.184500     -0.3537000       2.351100    
 H   -5.682200       3.060900     -0.2085000    
 H    3.508900       4.278800     -0.4242000    
 H   -6.657800       2.023400       1.822700    


%chk=000036989-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036989

0 1
S -3.299520 -0.151488 -1.597299
O 3.974391 -2.310824 1.882838
O 5.159108 3.401484 -0.650857
N 0.309810 -1.836517 -0.502269
C 2.676696 -2.584362 -0.208623
C 2.968522 -1.662898 1.009805
C 1.616505 -2.030846 -1.179826
C 3.536264 -0.312425 0.605101
C -0.741249 -1.235498 -1.353072
C -1.949184 -0.856787 -0.479585
C 2.674515 0.789583 0.391617
C 4.929095 -0.140005 0.398550
C 3.182524 2.038288 -0.031061
C 5.451109 1.100367 -0.017115
C 4.574921 2.188750 -0.235769
C -4.641581 0.232593 -0.403956
C -4.539105 0.037853 0.994577
C -5.839669 0.757334 -0.955104
C -5.630937 0.366136 1.831790
C -6.922326 1.082378 -0.111048
C -6.825278 0.888463 1.287946
H 2.344222 -3.577636 0.168281
H 3.622744 -2.748152 -0.759139
H 2.021738 -1.510421 1.565963
H 1.544119 -2.711407 -2.063426
H 1.949345 -1.046448 -1.559528
H -0.017262 -2.715475 -0.073059
H -1.071334 -1.901120 -2.187792
H -0.322017 -0.322859 -1.817472
H -1.653696 -0.099004 0.264371
H -2.356683 -1.744226 0.038191
H 1.596931 0.668289 0.557314
H 5.600348 -0.980621 0.598666
H 3.655528 -3.221016 2.110526
H 2.501667 2.885230 -0.189247
H 6.524622 1.247928 -0.168793
H -3.625255 -0.362148 1.443759
H -5.924099 0.909165 -2.037288
H -5.540849 0.211948 2.913138
H -7.841869 1.486695 -0.548870
H 4.469196 4.101686 -0.762792
H -7.667110 1.141216 1.941256


