%chk=000095186.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095186

0 1
 S  -0.1184000      0.1649000      -2.299800    
 O   -2.043200       1.313200      -3.047100    
 N   -1.589800      0.9720000      -1.950100    
 C   4.9600001E-02 -8.0499999E-02 -0.3440000    
 C   -1.125500     -0.8625000      0.1382000    
 C    1.448500     -0.8131000     -0.1692000    
 C   0.1513000       1.395400      0.2322000    
 C   -1.553500     -0.7350000       1.459600    
 C    1.553200      -1.667500      0.8693000    
 C   -1.014200       2.004900      0.5339000    
 C   -1.796100      -1.721700     -0.7323000    
 C    2.401100     -0.5120000      -1.075600    
 C    1.393800       1.904200      0.3665000    
 C   -2.652200      -1.466600       1.910700    
 C    2.781500      -2.310400       1.023000    
 C  -0.9248000       3.301800       1.039700    
 C   -2.894700      -2.453200     -0.2813000    
 C    3.629400      -1.155000     -0.9220000    
 C    1.483300       3.201000      0.8723000    
 C   -3.322700      -2.325800       1.040200    
 C    3.819600      -2.054100      0.1272000    
 C   0.3238000       3.899800       1.208900    
 H   -1.030500     -0.1131000       2.180900    
 H   0.7808000      -1.881800       1.593100    
 H   -2.009600       1.593000      0.4314000    
 H   -1.479500      -1.935000      -1.747000    
 H    2.350800      0.2161000      -1.873400    
 H    2.344100       1.448300      0.1564000    
 H   -2.978400      -1.376500       2.942600    
 H    2.931700      -3.007300       1.842500    
 H   -1.827000       3.846100       1.303700    
 H   -3.406700      -3.136300     -0.9530000    
 H    4.443400     -0.9452000      -1.610100    
 H    2.455000       3.667100       1.008900    
 H   -4.173900      -2.900500       1.393100    
 H    4.777400      -2.551400      0.2494000    
 H   0.3935000       4.909000       1.604100    


%chk=000095186-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000095186

0 1
S -0.218434 0.207827 -2.353240
O -2.713334 0.793320 -3.414966
N -2.185600 0.632820 -2.312583
C 0.063655 0.011847 -0.399795
C -1.122650 -0.774923 0.193164
C 1.386580 -0.782852 -0.337169
C 0.195526 1.425362 0.205696
C -1.692148 -0.406230 1.437546
C 1.522035 -1.947331 0.458540
C -0.831418 2.386273 0.005325
C -1.604487 -1.948702 -0.447384
C 2.525442 -0.315165 -1.050623
C 1.288292 1.774188 1.039349
C -2.726107 -1.178101 2.017458
C 2.757374 -2.632743 0.530939
C -0.758369 3.661715 0.600414
C -2.634992 -2.718782 0.128721
C 3.754445 -1.002645 -0.986249
C 1.363031 3.053846 1.638236
C -3.205486 -2.334724 1.365934
C 3.876958 -2.168300 -0.192945
C 0.344416 4.005500 1.418693
H -1.331941 0.485742 1.958380
H 0.665527 -2.323265 1.025398
H -1.695675 2.127428 -0.615837
H -1.169662 -2.251868 -1.405800
H 2.445368 0.594861 -1.656791
H 2.083647 1.047700 1.229761
H -3.154449 -0.870596 2.978056
H 2.839803 -3.530640 1.153630
H -1.560262 4.387769 0.425544
H -2.995144 -3.615632 -0.387626
H 4.615297 -0.628750 -1.551516
H 2.218630 3.301163 2.276682
H -4.010960 -2.928583 1.812142
H 4.831220 -2.704177 -0.141097
H 0.404973 4.998951 1.876912


