%chk=000177315.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177315

0 1
 S    4.232500      0.2616000     -0.6537000    
 S  -0.8142000       1.107400     -0.4590000    
 O    6.389400       1.575900      -2.176400    
 O   -3.501200       1.232800      -1.778800    
 O   -8.194300       1.950700     -0.2607000    
 O   -6.807000       1.915300       1.534900    
 O   -7.510000      -3.684900      0.3262000    
 O   -7.384600      -3.014100      -1.837600    
 N    5.664300      -1.678600       1.247700    
 N    7.831500      -1.022100      0.4588000    
 N   -4.771100      0.8952000      0.1052000    
 N    8.215700      0.5837000      -1.223000    
 N    9.990200     -0.5310000     -0.1581000    
 C    3.619600     -0.3706000      0.9490000    
 C    2.096500     -0.4243000      0.9197000    
 C    4.218800      -1.750000       1.219300    
 C    1.488000      0.9667000       1.098700    
 C    6.456600     -0.9080000      0.4141000    
 C    5.935700     -2.0000000E-02 -0.4642000    
 C  -1.8200001E-02  0.9190000       1.045400    
 C  -0.9075000      0.7401000       2.082000    
 C   -6.041100      0.9812000     -0.5799000    
 C   -2.353400      0.9495000      0.2744000    
 C    6.851800      0.7813000      -1.361400    
 C   -6.516400     -0.3736000      -1.118500    
 C   -2.260400      0.7577000       1.635300    
 C   -3.522500       1.028100     -0.5401000    
 C    8.656100     -0.2811000     -0.3495000    
 C   -6.782300      -1.455800     -6.4199999E-02
 C   -7.025600       1.644500      0.3612000    
 C   -7.236800      -2.776500     -0.6469000    
 H    3.953400      0.3219000       1.732500    
 H    1.742100      -1.056300       1.745700    
 H    1.731100     -0.9036000      1.7000000E-03
 H    3.902300      -2.477600      0.4616000    
 H    3.869500      -2.126700       2.187600    
 H    1.791700       1.380100       2.069300    
 H    1.858000       1.665100      0.3390000    
 H    6.161900      -2.324900       1.851900    
 H   -5.909300       1.668000      -1.425400    
 H  -0.6061000      0.6030000       3.112700    
 H    8.208900      -1.687600       1.124300    
 H   -7.435500     -0.2243000      -1.700100    
 H   -5.770100     -0.7547000      -1.828100    
 H   -3.102500      0.6340000       2.303400    
 H   -4.799200      0.7127000       1.102900    
 H   -7.562300      -1.112200      0.6240000    
 H   -5.867300      -1.646000      0.5076000    
 H    10.30910      -1.207400      0.5269000    
 H    10.69800     -4.4300001E-02 -0.6973000    
 H   -8.825100       2.394800      0.3452000    
 H   -7.822300      -4.536900     -4.6599999E-02


%chk=000177315-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000177315

0 1
S 4.475327 0.982768 -0.001512
S -0.839487 0.577623 -0.518323
O 6.875447 2.528640 -0.842833
O -3.577427 0.274054 -1.814310
O -8.303864 1.873323 -0.792282
O -6.973675 2.275893 1.068009
O -7.721374 -3.381912 1.241740
O -7.448637 -3.340850 -1.063973
N 5.699618 -1.992308 0.541950
N 7.938615 -1.262100 0.257149
N -4.869313 0.918850 0.008162
N 8.574615 0.976264 -0.354487
N 10.215843 -0.653456 0.036380
C 3.660914 -0.529003 0.841071
C 2.140806 -0.461923 0.609415
C 4.263065 -1.834207 0.259855
C 1.480370 0.825948 1.174290
C 6.565719 -0.928239 0.263388
C 6.195883 0.365152 -0.053938
C -0.022263 0.826084 1.075721
C -0.957518 1.015997 2.088916
C -6.106514 0.878543 -0.778901
C -2.453923 0.750331 0.271302
C 7.208295 1.365993 -0.460676
C -6.638347 -0.566686 -1.024405
C -2.321702 0.973958 1.640018
C -3.650091 0.627222 -0.590741
C 8.886241 -0.266228 -0.023545
C -6.953487 -1.315748 0.281163
C -7.132196 1.744673 -0.056417
C -7.383194 -2.747912 0.033820
H 3.894100 -0.460640 1.920310
H 1.672609 -1.343410 1.093037
H 1.932384 -0.540163 -0.475846
H 4.097711 -1.847918 -0.833305
H 3.737060 -2.707403 0.689034
H 1.755624 0.943062 2.240237
H 1.897320 1.706926 0.646475
H 5.952859 -2.609730 1.317252
H -5.913547 1.316947 -1.778425
H -0.669530 1.183962 3.129969
H 8.188402 -2.251485 0.191798
H -7.536805 -0.505503 -1.662477
H -5.864630 -1.104221 -1.597729
H -3.169913 1.093193 2.320546
H -4.926566 1.357679 0.931955
H -7.755255 -0.821873 0.864226
H -6.066256 -1.337282 0.943477
H 10.524868 -1.481400 0.539539
H 10.895525 0.063072 -0.210122
H -8.953667 2.443358 -0.298477
H -7.993641 -4.320715 1.051224


