%chk=000112611.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112611

0 1
 S   8.8600002E-02  -1.816100      -1.087500    
 O    4.258600      -2.539500     -0.4804000    
 O    2.092500       3.753200      0.6641000    
 O    3.057600     -0.5096000      -1.839200    
 O    2.081600       1.327600       1.900000    
 N  -0.8087000      0.2992000      0.2900000    
 C   -1.981400     -0.4188000     -7.1000002E-02
 C   -3.358800     -0.1331000      0.1937000    
 C   -1.664700      -1.594200     -0.8114000    
 C   0.3597000     -0.3105000     -0.1931000    
 C   -4.331600      -1.063400     -0.2906000    
 C   -2.619100      -2.481200      -1.275200    
 C    1.631700      0.1039000     -6.4499997E-02
 C   -3.950400      -2.209200      -1.006700    
 C  -0.8340000       1.510800       1.087800    
 C   -3.883500      0.9903000      0.8891000    
 C   -5.703500     -0.8578000     -6.7400001E-02
 C   -5.253900       1.179800       1.101500    
 C   -6.164500      0.2548000      0.6247000    
 C    2.701700     -0.7466000     -0.6844000    
 C    1.869700       1.380300      0.6880000    
 C    3.309400      -1.810800      0.1205000    
 C    1.875300       2.644400     -5.4800000E-02
 C    3.066500      -2.185500       1.391600    
 C    1.694600       2.881200      -1.368700    
 C    3.952400      -3.264300       1.624900    
 C    1.808200       4.285600      -1.501000    
 C    4.655700      -3.440600      0.4562000    
 C    2.050300       4.769900     -0.2365000    
 H   -2.346700      -3.370300      -1.834800    
 H   -4.701000      -2.909200      -1.371100    
 H   -1.092400       2.383400      0.4807000    
 H   -1.565000       1.387600       1.890300    
 H   3.8999999E-03   1.738800       1.724600    
 H   -3.269600       1.809000       1.234500    
 H   -6.437800      -1.571400     -0.4384000    
 H   -5.602100       2.064600       1.627100    
 H   -7.228500      0.3991000      0.7833000    
 H    2.356700      -1.765800       2.089900    
 H    1.503600       2.168100      -2.157600    
 H    4.064300      -3.841300       2.531600    
 H    1.724000       4.871700      -2.404700    
 H    5.430700      -4.126200      0.1461000    
 H    2.207200       5.759300      0.1678000    


%chk=000112611-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112611

0 1
S -0.369862 -2.178116 -1.275581
O 4.767073 -2.266727 -0.494120
O 1.504997 3.073804 0.902514
O 2.113164 -2.585462 -0.913132
O 2.393265 0.710132 2.139596
N -1.033738 -0.266397 0.469634
C -2.256529 -0.565886 -0.199944
C -3.539812 0.071998 -0.022145
C -2.102715 -1.613132 -1.123961
C 0.097237 -0.912682 -0.038871
C -4.664582 -0.517211 -0.734011
C -3.201449 -2.171189 -1.828149
C 1.425815 -0.684827 0.361160
C -4.470829 -1.638438 -1.610614
C -1.011145 0.332367 1.828532
C -3.777035 1.264790 0.742141
C -5.967975 0.059009 -0.580854
C -5.059081 1.810710 0.853322
C -6.171731 1.194176 0.204994
C 2.446582 -1.658860 -0.078770
C 1.787916 0.613329 1.024591
C 3.855301 -1.579222 0.356030
C 1.435532 1.817452 0.244963
C 4.559603 -1.093543 1.461770
C 1.097096 2.028907 -1.094614
C 5.938721 -1.474337 1.299559
C 0.948274 3.447442 -1.285728
C 6.022005 -2.175572 0.104537
C 1.200863 4.042238 -0.055219
H -3.048120 -3.004843 -2.520295
H -5.340477 -2.055251 -2.130385
H -0.852222 1.423400 1.807904
H -1.964579 0.106357 2.330630
H -0.192458 -0.127381 2.402445
H -2.946315 1.785817 1.221418
H -6.807843 -0.405356 -1.110963
H -5.208493 2.726236 1.435675
H -7.173052 1.624656 0.309537
H 4.117581 -0.542385 2.287194
H 0.993854 1.250732 -1.848152
H 6.758354 -1.258203 1.981645
H 0.696729 3.962461 -2.210404
H 6.837059 -2.644916 -0.440102
H 1.210321 5.071123 0.295221


