%chk=000085422.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085422

0 1
 S    1.233200       2.084300      0.1990000    
 O   0.9214000       2.441200       1.579600    
 O    2.205600       2.900200     -0.5216000    
 O   -3.028300      -1.909100      -1.062000    
 N  -0.2501000       2.027500     -0.7063000    
 C    1.798600      0.4326000      0.1842000    
 C   -1.282100       1.160600     -0.1724000    
 C  -0.1435000       2.085400      -2.188100    
 C    2.637300     -7.7999998E-03 -0.8399000    
 C    1.411900     -0.4468000       1.195600    
 C   -1.654800      3.4899998E-02 -0.8863000    
 C    2.702300      -2.206600      0.1586000    
 C   -1.871900       1.478700       1.038700    
 C    3.089000      -1.327400     -0.8527000    
 C    1.863900      -1.766400       1.182800    
 C   -2.648500     -0.7987000     -0.3729000    
 C   -2.865400      0.6453000       1.552000    
 C   -3.253700     -0.4936000      0.8462000    
 C    3.185700      -3.617600      0.1456000    
 C   -4.050600      -2.716600     -0.4802000    
 H   -1.134600       2.155900      -2.648700    
 H   0.3861000       1.216600      -2.588100    
 H   0.3982000       2.991400      -2.478000    
 H    2.946200      0.6580000      -1.640700    
 H   0.7598000     -0.1280000       2.003700    
 H   -1.189900     -0.2388000      -1.828200    
 H   -1.606800       2.376600       1.587800    
 H    3.742100      -1.658500      -1.655700    
 H    1.556900      -2.441700       1.977100    
 H   -3.341200      0.8876000       2.497900    
 H   -4.032200      -1.096000       1.301800    
 H    2.450600      -4.291000      0.5991000    
 H    3.352600      -3.968900     -0.8784000    
 H    4.125200      -3.697900      0.7013000    
 H   -4.226700      -3.555600      -1.161300    
 H   -4.995900      -2.169800     -0.3954000    
 H   -3.730600      -3.143400      0.4765000    


%chk=000085422-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085422

0 1
S 1.259222 2.143134 0.205652
O 0.914651 2.536250 1.744165
O 2.257598 3.045195 -0.713259
O -3.337912 -1.808520 -1.144938
N -0.493304 2.130513 -0.803726
C 1.919659 0.373682 0.199657
C -1.424199 1.214261 -0.228767
C -0.154089 2.006500 -2.238229
C 2.799656 0.000293 -0.830019
C 1.507582 -0.499829 1.220171
C -1.919006 0.083935 -0.930778
C 2.901415 -2.250004 0.177433
C -1.915323 1.500656 1.083139
C 3.287434 -1.324897 -0.829366
C 2.009388 -1.819404 1.195740
C -2.907943 -0.738296 -0.341985
C -2.873622 0.651552 1.660851
C -3.388308 -0.470072 0.963087
C 3.460026 -3.661094 0.184881
C -4.351731 -2.707156 -0.588102
H -1.054739 2.284249 -2.815021
H 0.177028 0.995380 -2.560885
H 0.641313 2.735293 -2.464333
H 3.111472 0.731263 -1.583225
H 0.834142 -0.153384 2.010281
H -1.573866 -0.172106 -1.936063
H -1.544307 2.383134 1.609204
H 3.980854 -1.641890 -1.616852
H 1.705888 -2.522094 1.980136
H -3.250542 0.873699 2.665225
H -4.152652 -1.098003 1.429392
H 2.760611 -4.372387 0.657140
H 3.676040 -4.018167 -0.836955
H 4.408106 -3.704156 0.755271
H -4.529392 -3.459184 -1.370756
H -5.293371 -2.166785 -0.369642
H -3.987980 -3.204963 0.332074


