%chk=000064551.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064551

0 1
 S    2.446900       2.572600      0.1224000    
 O    1.007400     -6.4599998E-02  0.6055000    
 O   0.7616000     -0.3174000      -1.679700    
 N    2.400300     -0.1322000      0.3842000    
 C   -1.170000     -9.5200002E-02 -0.2556000    
 C   -3.490100     -0.1516000      -1.248500    
 C   -3.005200       1.325400      0.7375000    
 C   -3.061400      -1.181400       1.013900    
 C   -1.984600     -0.2205000      -1.558600    
 C   -1.501400       1.250600      0.4197000    
 C   -1.557400      -1.245500      0.6943000    
 C   -3.805400       1.192600     -0.5697000    
 C   -3.862100      -1.300000     -0.2946000    
 C   -3.379700      0.1684000       1.680300    
 C   0.2995000     -0.1741000     -0.5556000    
 C    3.113900       1.025000      0.1361000    
 C    2.924200      -1.397100      0.4348000    
 C    4.572700      0.7911000     -0.1463000    
 C    4.226100      -1.589700      0.1927000    
 C    5.064800     -0.4565000     -0.1128000    
 H   -4.064100     -0.2410000      -2.177500    
 H   -3.235300       2.283400       1.216800    
 H   -3.332000      -2.001000       1.688900    
 H   -1.756800      -1.166700      -2.067200    
 H   -1.715800      0.5808000      -2.259700    
 H   -1.216300       2.084900     -0.2344000    
 H  -0.9313000       1.379700       1.348600    
 H  -0.9896000      -1.195400       1.632400    
 H   -1.312500      -2.214600      0.2398000    
 H   -3.558500       2.020500      -1.245600    
 H   -4.879700       1.262500     -0.3594000    
 H   -4.937400      -1.273900     -7.9000004E-02
 H   -3.656600      -2.265500     -0.7729000    
 H   -2.826900      0.2600000       2.623300    
 H   -4.446600      0.2200000       1.930200    
 H    2.248700      -2.213200      0.6619000    
 H    5.212700       1.636700     -0.3734000    
 H    4.668600      -2.578100      0.2186000    
 H    6.114200     -0.6424000     -0.3134000    


%chk=000064551-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064551

0 1
S 2.167396 2.400096 0.330837
O 1.064336 -0.432990 0.582024
O 0.796620 -0.315646 -1.766069
N 2.478599 -0.346674 0.335169
C -1.208330 -0.163488 -0.285363
C -3.564289 -0.152615 -1.238639
C -2.974922 1.386972 0.686802
C -3.142141 -1.112854 1.069267
C -2.059698 -0.304651 -1.582448
C -1.465681 1.246137 0.355770
C -1.632445 -1.267051 0.741643
C -3.814518 1.245246 -0.611946
C -3.980305 -1.256922 -0.229700
C -3.393222 0.284788 1.697153
C 0.259829 -0.287509 -0.654948
C 3.066243 0.941891 0.239918
C 3.135302 -1.556354 0.243439
C 4.502537 0.873279 0.064044
C 4.509831 -1.580304 0.069164
C 5.202642 -0.326691 -0.019718
H -4.155422 -0.255341 -2.169594
H -3.143006 2.386365 1.133757
H -3.430220 -1.903253 1.790112
H -1.870070 -1.290266 -2.050530
H -1.749947 0.464325 -2.314411
H -1.145477 2.037045 -0.347844
H -0.847947 1.358540 1.264656
H -1.029845 -1.173631 1.663268
H -1.438072 -2.270893 0.313187
H -3.536642 2.040038 -1.332622
H -4.891438 1.371396 -0.382713
H -5.059525 -1.168382 0.005972
H -3.824317 -2.259630 -0.676769
H -2.813346 0.389598 2.635736
H -4.464695 0.394903 1.957299
H 2.505535 -2.443550 0.326827
H 5.013505 1.836604 -0.006233
H 5.029445 -2.538019 -0.000617
H 6.288601 -0.313910 -0.157881


