%chk=000107627.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107627

0 1
 S    3.178700     -0.8605000      -1.321900    
 O  -0.5205000      -1.192700      0.9097000    
 O   -3.446500      -2.967500     -0.1897000    
 O   -1.502800      -4.041400       1.376800    
 O    2.033700      -1.306300     -0.2417000    
 O    2.563800     -5.0099999E-02  -2.355000    
 O    3.963900      -2.036000      -1.648200    
 N   -2.402300      2.1299999E-02  0.1253000    
 N   -2.370500       1.952200     -0.9922000    
 N   -4.647900      0.1134000       1.047600    
 N   -5.800000       2.157900      0.3779000    
 N   -4.775700       3.812200      -1.015400    
 C   -2.142700      -2.432200     -0.2906000    
 C   -1.068600      -3.392000      0.1819000    
 C   -1.936800      -1.258500      0.6548000    
 C   8.1500001E-02  -2.450100      0.5241000    
 C    1.011000      -2.195800     -0.6544000    
 C   -3.625500      0.5975000      0.3267000    
 C   -1.684900      0.8745000     -0.6729000    
 C   -3.585300       1.792100     -0.3743000    
 C   -4.727900       2.584800     -0.3321000    
 C    4.231500      0.2273000     -0.4143000    
 C   -5.694900      0.9663000       1.014200    
 C    5.317700     -0.2947000      0.2693000    
 C    3.954800       1.584700     -0.4000000    
 C    6.149900      0.5644000      0.9871000    
 C    4.787200       2.443600      0.3178000    
 C    5.884600       1.933400       1.011400    
 C    6.774600       2.852200       1.778300    
 H   -1.962900      -2.141100      -1.331900    
 H  -0.8252000      -4.166600     -0.5509000    
 H   -2.442100      -1.405600       1.617300    
 H   0.6614000      -2.797200       1.386800    
 H   0.4696000      -1.736200      -1.488400    
 H    1.460200      -3.135000     -0.9945000    
 H   -3.577300      -3.270600      0.7249000    
 H  -0.7748000      -4.611800       1.677500    
 H  -0.6743000      0.6615000     -0.9945000    
 H   -6.571600      0.6557000       1.572500    
 H    5.536800      -1.358100      0.2702000    
 H    3.100600       2.001400     -0.9247000    
 H   -3.977000       4.133100      -1.545900    
 H   -5.617400       4.370300     -0.9694000    
 H    6.999800      0.1545000       1.526300    
 H    4.568100       3.508100      0.3324000    
 H    6.408200       2.960600       2.803900    
 H    7.801400       2.472400       1.810800    
 H    6.814500       3.843000       1.313000    


%chk=000107627-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107627

0 1
S 2.981425 -1.332286 -1.629596
O 0.023443 -1.551940 0.623365
O -3.371408 -2.722348 -0.274576
O -1.839152 -4.021282 1.478133
O 2.550389 -2.668295 -0.332264
O 1.592218 -1.032463 -2.424781
O 4.272065 -1.811614 -2.473475
N -1.608864 0.001661 -0.166242
N -1.478461 1.738404 -1.660266
N -3.128323 1.030513 1.516293
N -3.807352 3.306795 0.871122
N -3.079189 4.347790 -1.123590
C -1.948286 -2.513175 -0.360199
C -1.112754 -3.671746 0.246674
C -1.430324 -1.293315 0.457443
C 0.265208 -3.022699 0.528788
C 1.266923 -3.323071 -0.600031
C -2.413149 1.027141 0.356242
C -1.070279 0.488804 -1.378002
C -2.325458 2.082661 -0.587376
C -3.071561 3.260646 -0.291227
C 3.476841 0.052228 -0.471443
C -3.792086 2.213018 1.694133
C 4.767151 0.581377 -0.635389
C 2.550563 0.503987 0.482391
C 5.138773 1.649817 0.208997
C 2.956425 1.572218 1.310890
C 4.245367 2.158889 1.188798
C 4.669317 3.288122 2.108567
H -1.715644 -2.377730 -1.429598
H -1.045627 -4.544230 -0.431199
H -1.935313 -1.247977 1.441399
H 0.677152 -3.352624 1.500540
H 0.860386 -2.975139 -1.573240
H 1.468047 -4.411233 -0.656638
H -3.552341 -3.135591 0.613111
H -1.482525 -4.851204 1.877057
H -0.348791 -0.080772 -1.963362
H -4.388595 2.298901 2.607232
H 5.448363 0.176098 -1.389818
H 1.568660 0.030281 0.591947
H -2.545626 4.325194 -1.989965
H -3.634954 5.161192 -0.868367
H 6.135750 2.091612 0.102301
H 2.258007 1.951099 2.065383
H 5.111586 2.887485 3.041250
H 5.428704 3.934278 1.635939
H 3.811396 3.918925 2.398250


