%chk=000126907.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126907

0 1
 S   -2.904800      -1.120700      0.2743000    
 O   -3.604700       2.299900     -0.1655000    
 O    1.317400      -2.184300     -0.4748000    
 O   -5.535900       2.907400      0.9191000    
 N    5.761700       1.201400      0.2617000    
 N    2.258000      3.3700000E-02  0.1868000    
 N   -5.252100       3.281600      -1.352800    
 C    4.658200      0.2598000      0.1199000    
 C    3.327500      0.9628000      0.3560000    
 C  -0.1653000     -0.5175000      0.2263000    
 C   0.8991000      0.3901000      0.3694000    
 C   -1.476200     -8.6099997E-02  0.4439000    
 C    7.014200      0.4921000      0.5297000    
 C    5.893500       2.026600     -0.9405000    
 C   -1.701200       1.253900      0.8034000    
 C   0.1632000      -1.911200     -0.1559000    
 C   0.6607000       1.716000      0.7282000    
 C  -0.8552000      -2.987900     -0.1543000    
 C  -0.6407000       2.148600      0.9458000    
 C   -2.216300      -2.735700      3.5399999E-02
 C   -3.075100       1.800600       1.053300    
 C    7.390200     -0.4153000     -0.6296000    
 C    6.997700       3.057800     -0.7802000    
 C  -0.4129000      -4.307600     -0.3543000    
 C   -3.116900      -3.814800      2.1900000E-02
 C   -1.317800      -5.368000     -0.3633000    
 C   -2.671400      -5.121700     -0.1748000    
 C   -4.865200       2.838600     -0.1056000    
 C   -6.529500       3.900100      -1.623500    
 H    4.739000     -0.5432000      0.8659000    
 H    4.647500     -0.2283000     -0.8638000    
 H    3.202800       1.786500     -0.3537000    
 H    3.329100       1.373200       1.374000    
 H    2.473800     -0.9206000     -6.9200002E-02
 H    6.899500     -0.1147000       1.437400    
 H    7.834100       1.178500      0.7660000    
 H    4.974200       2.603300      -1.089800    
 H    6.032200       1.453500      -1.864100    
 H    1.442100       2.458000      0.8539000    
 H  -0.8148000       3.185600       1.221000    
 H   -3.752900       1.073100       1.512400    
 H   -3.010300       2.628500       1.772900    
 H    6.626000      -1.159300     -0.8708000    
 H    7.658200      0.1299000      -1.538700    
 H    8.285100     -0.9841000     -0.3485000    
 H    6.921400       3.803600      -1.579600    
 H    7.997300       2.619700     -0.8560000    
 H    6.916700       3.593800      0.1718000    
 H   0.6403000      -4.533900     -0.5020000    
 H   -4.183800      -3.651200      0.1637000    
 H  -0.9645000      -6.383300     -0.5172000    
 H   -3.381600      -5.943200     -0.1818000    
 H   -4.602900       3.166300      -2.125000    
 H   -7.048400       3.297000      -2.372500    
 H   -6.345900       4.898700      -2.027300    
 H   -7.137000       3.971500     -0.7184000    


%chk=000126907-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126907

0 1
S -2.967587 -0.569657 0.349110
O -3.704573 2.587718 0.022905
O 1.287658 -1.989175 -0.450340
O -5.743600 1.948128 1.048574
N 5.991459 1.042081 0.073315
N 2.299025 0.271641 0.160417
N -5.618724 2.662706 -1.190547
C 4.763783 0.216634 0.039967
C 3.511760 1.079028 0.318985
C -0.127929 -0.161982 0.248121
C 1.030181 0.726924 0.414619
C -1.424700 0.382808 0.535440
C 7.152229 0.386124 0.726179
C 6.279440 1.705018 -1.224217
C -1.616874 1.719619 0.974293
C 0.093111 -1.552231 -0.183958
C 0.819523 2.072236 0.848177
C -1.024872 -2.528789 -0.323262
C -0.468576 2.538676 1.116585
C -2.391381 -2.220826 -0.105210
C -2.973406 2.286746 1.299347
C 7.779144 -0.819327 -0.028113
C 7.284583 2.865808 -1.106312
C -0.691763 -3.862660 -0.701132
C -3.398333 -3.208449 -0.257842
C -1.679807 -4.846539 -0.854678
C -3.042675 -4.516747 -0.630812
C -5.100259 2.359534 0.047584
C -7.044894 2.526999 -1.491596
H 4.833236 -0.564441 0.820337
H 4.631767 -0.316700 -0.933209
H 3.496172 1.948920 -0.371797
H 3.589772 1.487328 1.346502
H 2.333907 -0.720223 -0.163550
H 6.820805 0.054475 1.728777
H 7.930023 1.152707 0.899128
H 5.322086 2.108280 -1.605116
H 6.637997 0.977606 -1.995543
H 1.675393 2.739417 0.971278
H -0.605740 3.575022 1.448675
H -3.611860 1.606275 1.893585
H -2.871400 3.241648 1.843762
H 7.035825 -1.620547 -0.195752
H 8.187596 -0.520361 -1.010577
H 8.609372 -1.247203 0.564174
H 7.368265 3.396179 -2.072663
H 8.296035 2.515300 -0.832857
H 6.948472 3.584051 -0.337683
H 0.367978 -4.079009 -0.865277
H -4.447889 -2.948389 -0.081941
H -1.401694 -5.864919 -1.144970
H -3.822201 -5.277671 -0.745827
H -4.961256 2.967914 -1.908220
H -7.220655 1.780647 -2.288873
H -7.484251 3.493049 -1.802816
H -7.552297 2.187700 -0.574547


