%chk=000036817.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036817

0 1
 S    3.186800       2.027400      9.9600002E-02
 O  -6.6399999E-02  -1.638000     -6.1700001E-02
 N  -0.9395000      0.5548000     -6.7299999E-02
 N   0.5497000       2.439300      6.3000000E-03
 C    2.706500     -0.4984000     -3.2800000E-02
 C    2.971200      -1.975100     -7.3600002E-02
 C    4.440500      -2.292600     -0.3925000    
 C    5.400200      -1.403000      0.4079000    
 C    5.195600      8.3099999E-02  8.0600001E-02
 C    3.737100      0.4196000      5.6000002E-02
 C    1.433100      0.1583000     -3.8899999E-02
 C    1.554800       1.531200      2.0400001E-02
 C   9.6500002E-02 -0.4210000     -7.7200003E-02
 C  -0.6506000       1.935900     -5.7200000E-02
 C   -2.289100      6.3100003E-02 -1.7600000E-02
 C   -1.779900       2.939100     -0.1841000    
 C   -2.897300     -0.1462000       1.213400    
 C   -2.968300     -0.1965000      -1.201000    
 C   -4.207000     -0.6234000       1.262000    
 C   -4.278100     -0.6736000      -1.152400    
 C   -4.897500     -0.8871000      7.9200000E-02
 C   -6.298200      -1.396800      0.1309000    
 H    2.712400      -2.401600      0.9035000    
 H    2.334500      -2.457600     -0.8234000    
 H    4.640600      -3.348500     -0.1783000    
 H    4.623400      -2.143200      -1.464400    
 H    6.437800      -1.684500      0.1958000    
 H    5.235100      -1.570500       1.480000    
 H    5.626400      0.3003000     -0.9047000    
 H    5.729400      0.6940000      0.8174000    
 H   -1.391600       3.961700     -0.1832000    
 H   -2.472300       2.827400      0.6546000    
 H   -2.321400       2.769500      -1.118700    
 H   -2.366900      5.7300001E-02   2.139700    
 H   -2.493500     -3.2299999E-02  -2.164500    
 H   -4.679300     -0.7838000       2.227500    
 H   -4.806400     -0.8734000      -2.081000    
 H   -7.002800     -0.5592000      0.1327000    
 H   -6.517400      -2.038100     -0.7295000    
 H   -6.466600      -1.999100       1.030100    


%chk=000036817-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036817

0 1
S 3.309264 2.162280 -0.102127
O -0.126123 -1.607496 0.069413
N -0.914349 0.620497 -0.013535
N 0.547720 2.523846 -0.087480
C 2.763345 -0.462701 0.002314
C 2.971119 -1.966118 0.050205
C 4.421046 -2.347071 -0.335482
C 5.454260 -1.446111 0.382081
C 5.293874 0.038739 -0.044096
C 3.834603 0.417198 -0.040006
C 1.485548 0.221002 -0.007143
C 1.586500 1.627163 -0.063416
C 0.156373 -0.374669 0.021701
C -0.683725 2.007025 -0.061893
C -2.277540 0.102269 0.001661
C -1.867000 2.942236 -0.082098
C -2.910341 -0.174539 1.231600
C -2.950133 -0.140422 -1.214414
C -4.227310 -0.680629 1.240252
C -4.267201 -0.645986 -1.194769
C -4.929994 -0.918520 0.030262
C -6.356822 -1.438064 0.045900
H 2.740615 -2.331648 1.071261
H 2.237517 -2.463558 -0.608310
H 4.603233 -3.409564 -0.087689
H 4.551675 -2.243745 -1.431651
H 6.484488 -1.781526 0.159122
H 5.311526 -1.529839 1.477449
H 5.720346 0.185163 -1.058356
H 5.873303 0.693949 0.634949
H -1.483307 3.972309 -0.092885
H -2.514125 2.800406 0.801963
H -2.501527 2.780217 -0.971797
H -2.367628 -0.012336 2.168927
H -2.437946 0.047809 -2.164210
H -4.713315 -0.901432 2.197936
H -4.784359 -0.839402 -2.142047
H -7.083905 -0.602780 0.058927
H -6.575392 -2.048470 -0.847689
H -6.552814 -2.056984 0.938769


