%chk=000037523.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037523

0 1
 S  -0.6083000      0.2970000     -0.2371000    
 O   0.9073000      -1.790500      0.1675000    
 N    2.088900      0.1434000     -0.3551000    
 C    3.416900     -0.4567000     -0.3077000    
 C    2.066100       1.570600     -0.6803000    
 C    3.713800      -1.049100       1.079000    
 C    2.858600       2.391700      0.3492000    
 C    3.505900      -1.540400      -1.381300    
 C    2.647300       1.765900      -2.080000    
 C   0.9192000     -0.5926000     -0.1076000    
 C    5.092100      -1.689200       1.187300    
 C    2.325400       2.266600       1.770900    
 C   -1.797300      -1.006000      0.1504000    
 C   -3.216300     -0.5094000      0.1108000    
 C   -3.930500     -0.5698000      -1.078800    
 C   -3.795000      3.8999999E-03   1.264000    
 C   -5.246500     -0.1088000      -1.115800    
 C   -5.111000      0.4649000       1.227200    
 C   -5.836700      0.4085000      3.7200000E-02
 H    4.195800      0.2766000     -0.5297000    
 H    1.064600       1.996600     -0.7060000    
 H    3.667800     -0.2593000       1.833100    
 H    2.972800      -1.797900       1.375000    
 H    3.922000       2.131100      0.3537000    
 H    2.819200       3.450800      6.2899999E-02
 H    3.139500      -1.174300      -2.346600    
 H    2.930500      -2.436200      -1.127900    
 H    4.544300      -1.853200      -1.534800    
 H    2.120800       1.142900      -2.811600    
 H    3.714900       1.538400      -2.150200    
 H    2.527400       2.809600      -2.393200    
 H    5.164500      -2.596800      0.5809000    
 H    5.875600     -0.9934000      0.8710000    
 H    5.292300      -1.972700       2.225800    
 H    1.327000       2.712600       1.837700    
 H    2.243000       1.236600       2.117000    
 H    2.976100       2.808100       2.465100    
 H   -1.677500      -1.832500     -0.5602000    
 H   -1.578600      -1.415600       1.143800    
 H   -3.480500     -0.9698000      -1.983200    
 H   -3.239000      5.3800002E-02   2.196100    
 H   -5.811400     -0.1523000      -2.042400    
 H   -5.570600      0.8680000       2.124800    
 H   -6.861300      0.7677000      8.5000005E-03


%chk=000037523-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037523

0 1
S -0.514066 0.532895 -1.758231
O 0.569563 -1.658464 -0.470645
N 2.024584 0.166376 -0.658650
C 3.160489 -0.593413 -0.016988
C 2.297526 1.560556 -1.134414
C 2.841024 -0.971608 1.455455
C 2.638925 2.518863 0.038955
C 3.591055 -1.800831 -0.882174
C 3.379343 1.575128 -2.240360
C 0.823607 -0.478285 -0.846857
C 4.077432 -1.482361 2.227259
C 1.471310 2.729224 1.025510
C -1.916312 -0.765762 -1.651653
C -2.887773 -0.499697 -0.527927
C -4.105639 0.188233 -0.764512
C -2.595831 -0.945322 0.788961
C -5.013669 0.431154 0.290943
C -3.502327 -0.703409 1.843727
C -4.714154 -0.013749 1.599242
H 4.001595 0.125967 0.005796
H 1.358067 1.929966 -1.583999
H 2.440517 -0.073732 1.964898
H 2.041364 -1.732422 1.464886
H 3.534817 2.150323 0.577820
H 2.929027 3.491257 -0.406020
H 3.814697 -1.480787 -1.915211
H 2.793236 -2.560348 -0.913529
H 4.503253 -2.261997 -0.464205
H 3.102304 0.898994 -3.067857
H 4.370361 1.270123 -1.856650
H 3.480787 2.596799 -2.648755
H 4.448270 -2.441981 1.824496
H 4.910320 -0.753320 2.189118
H 3.826762 -1.646588 3.290938
H 0.594691 3.168650 0.515741
H 1.144983 1.773165 1.471942
H 1.765198 3.407663 1.846850
H -2.391165 -0.726875 -2.644642
H -1.379882 -1.720813 -1.519862
H -4.341772 0.534729 -1.778529
H -1.655102 -1.477978 0.971313
H -5.951901 0.962339 0.093599
H -3.268386 -1.055599 2.855032
H -5.418027 0.171740 2.418587


