%chk=000013953.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013953

0 1
 S    2.285500      -2.042600     -0.3645000    
 O  -8.5000001E-02  -1.298200       1.499000    
 O    2.346300      -2.738900      0.9061000    
 O    2.870300      -2.630800      -1.554000    
 N   -1.541200     -0.9637000     -0.2645000    
 N   0.6668000      -1.600900     -0.6915000    
 C   -2.696900     -0.6023000      0.5273000    
 C   -3.974000      -1.136600     -0.1332000    
 C   -2.663800      0.8877000      0.8821000    
 C   -5.281400     -0.6629000      0.5035000    
 C   -2.760900       1.882600     -0.2741000    
 C   -6.005500      0.4363000     -0.2768000    
 C   -4.041400       1.877200      -1.108400    
 C   -5.339900       1.813800     -0.3040000    
 C  -0.3209000      -1.284300      0.2946000    
 C    3.034300     -0.4549000     -0.1584000    
 C    3.071800      0.1154000       1.102400    
 C    3.569300      0.1890000      -1.260700    
 C    4.206200       2.031800      0.1661000    
 C    3.662200       1.368600       1.265700    
 C    4.159800       1.442100      -1.097300    
 C    4.838100       3.371600      0.3406000    
 H   -2.601100      -1.135600       1.483700    
 H   -3.938700      -2.232600     -4.8300002E-02
 H   -3.975400     -0.9528000      -1.213000    
 H   -1.716700       1.095000       1.400100    
 H   -3.437100       1.110300       1.625200    
 H   -5.140600     -0.3685000       1.549100    
 H   -5.962200      -1.524500      0.5307000    
 H   -1.904200       1.751600     -0.9467000    
 H   -2.646800       2.887500      0.1544000    
 H   -6.998700      0.5600000      0.1745000    
 H   -6.184700      9.6900001E-02  -1.305000    
 H   -4.005000       1.088400      -1.865800    
 H   -4.044600       2.814000      -1.682200    
 H   -6.055200       2.495000     -0.7843000    
 H   -5.205500       2.199300      0.7125000    
 H   -1.614500     -0.9298000      -1.276800    
 H   0.3739000      -1.603800      -1.676700    
 H    2.651000     -0.3832000       1.969900    
 H    3.536400     -0.2493000      -2.253300    
 H    3.693200       1.817300       2.255100    
 H    4.580400       1.949100      -1.961700    
 H    4.725900       3.981900     -0.5621000    
 H    4.370100       3.925400       1.161600    
 H    5.904900       3.258300      0.5572000    


%chk=000013953-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013953

0 1
S 2.277981 -1.817409 -0.841298
O 0.154571 -0.528669 1.026193
O 2.270012 -2.957097 0.304391
O 2.754753 -2.164414 -2.359258
N -1.633611 -0.742321 -0.473836
N 0.562038 -1.213551 -1.174091
C -2.654322 -0.206482 0.460553
C -3.929277 -1.089674 0.362480
C -2.848163 1.322432 0.276954
C -5.169337 -0.543948 1.127081
C -3.346770 1.834029 -1.094393
C -6.244179 0.159836 0.255301
C -4.773009 1.404249 -1.540156
C -5.872596 1.497532 -0.441604
C -0.295139 -0.816681 -0.124387
C 3.221386 -0.304027 -0.239984
C 3.179544 0.026580 1.122619
C 3.977966 0.389975 -1.196717
C 4.739909 1.874580 0.620227
C 3.952714 1.131214 1.540392
C 4.738486 1.491879 -0.747455
C 5.590348 3.037621 1.096654
H -2.220946 -0.344910 1.469425
H -3.655036 -2.087181 0.755364
H -4.202983 -1.247966 -0.699898
H -1.867716 1.793779 0.487436
H -3.528769 1.679428 1.073626
H -4.843072 0.133255 1.941709
H -5.669213 -1.394713 1.630353
H -2.618153 1.551616 -1.882449
H -3.322889 2.941977 -1.050547
H -7.129867 0.345854 0.897294
H -6.578475 -0.555232 -0.526223
H -4.758501 0.374399 -1.947172
H -5.056371 2.052488 -2.393111
H -6.802344 1.886179 -0.902780
H -5.579987 2.248645 0.320075
H -1.936940 -1.000929 -1.414019
H 0.243061 -1.535581 -2.096109
H 2.552435 -0.540735 1.814528
H 3.981030 0.068205 -2.243003
H 3.938395 1.421387 2.597009
H 5.340606 2.056518 -1.468378
H 5.743160 3.784505 0.298532
H 5.132624 3.547100 1.962267
H 6.591147 2.686161 1.414502


