%chk=000043515.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043515

0 1
 S   0.3423000     -0.6518000       1.717300    
 O    4.924900       1.730200      -1.244400    
 O    5.070600       1.110500       1.465400    
 N   -1.711600      0.6088000     -0.3214000    
 N   -3.868000       2.464700      0.1924000    
 C   -1.000600     -0.3634000      -1.149500    
 C   -1.764600       1.918000     -0.9833000    
 C   -3.066300      0.1365000     -9.8000001E-03
 C   -2.513400       2.937600     -0.1184000    
 C   -3.813900       1.156400      0.8560000    
 C   0.3725000      0.1504000      -1.612600    
 C  -0.9040000      -1.743200     -0.5319000    
 C    1.545500      0.3597000     -0.6728000    
 C  -0.2909000      -1.975200      0.7105000    
 C   -4.580400       3.437000       1.018900    
 C    1.632100      4.1600000E-02  0.6949000    
 C   -1.416300      -2.841400      -1.246900    
 C    2.686000      0.9262000      -1.293400    
 C  -0.2146000      -3.280900       1.219200    
 C   -1.330200      -4.136500     -0.7370000    
 C    2.830500      0.3137000       1.390500    
 C  -0.7290000      -4.356200      0.4965000    
 C    3.863800       1.181800     -0.5941000    
 C    3.935400      0.8753000      0.7537000    
 H   -1.583200     -0.4723000      -2.078100    
 H   -2.238500       1.849100      -1.971600    
 H  -0.7664000       2.346800      -1.112400    
 H   -3.045300     -0.8005000      0.5575000    
 H   -3.638700     -5.0900001E-02 -0.9288000    
 H   -1.945500       3.129200      0.8025000    
 H   -2.569500       3.884100     -0.6699000    
 H   -4.832100      0.7851000       1.024900    
 H   -3.327200       1.234500       1.837900    
 H   0.2585000       1.043600      -2.239500    
 H   0.7374000     -0.6086000      -2.325300    
 H   -5.605300       3.100700       1.210500    
 H   -4.657200       4.399100      0.5003000    
 H   -4.086200       3.603500       1.983000    
 H   -1.888000      -2.695800      -2.216100    
 H    2.642200       1.169900      -2.354900    
 H   0.2452000      -3.476700       2.185600    
 H   -1.731900      -4.971300      -1.303600    
 H    2.914000      8.3400004E-02   2.452700    
 H  -0.6622000      -5.362900      0.8984000    
 H    4.688100       1.874600      -2.176600    
 H    5.732000       1.499600      0.8672000    


%chk=000043515-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043515

0 1
S 0.531481 -1.238812 1.620617
O 4.208488 2.862518 -0.874416
O 4.283373 2.208879 1.760962
N -1.496179 0.387719 -0.491115
N -3.297065 2.534570 0.290202
C -0.944092 -0.707636 -1.331979
C -1.468081 1.706950 -1.170738
C -2.867023 0.106255 0.008210
C -1.932391 2.815749 -0.212497
C -3.326690 1.215649 0.965924
C 0.535005 -0.434562 -1.765792
C -1.053481 -2.076198 -0.663755
C 1.463964 0.230436 -0.756465
C -0.381188 -2.409952 0.541709
C -3.813133 3.616909 1.149294
C 1.556103 -0.074023 0.627248
C -1.803553 -3.091504 -1.309181
C 2.356899 1.216418 -1.268078
C -0.485524 -3.716406 1.083309
C -1.917710 -4.392878 -0.773888
C 2.497372 0.592888 1.456772
C -1.257211 -4.704173 0.435493
C 3.286711 1.873680 -0.450591
C 3.360087 1.563951 0.931025
H -1.527612 -0.787173 -2.289665
H -2.128427 1.709715 -2.076626
H -0.436640 1.933233 -1.489522
H -2.863533 -0.856457 0.546844
H -3.598891 0.029296 -0.836361
H -1.192264 2.892194 0.625018
H -1.944153 3.783007 -0.750221
H -4.362747 1.008611 1.294557
H -2.665114 1.201753 1.869470
H 0.522754 0.195154 -2.675070
H 0.955818 -1.408983 -2.083515
H -4.851989 3.389550 1.449873
H -3.820157 4.568040 0.586583
H -3.209516 3.769899 2.080376
H -2.316826 -2.841599 -2.245996
H 2.307031 1.461154 -2.338085
H 0.051979 -3.956972 2.006962
H -2.512038 -5.152189 -1.293168
H 2.576727 0.355732 2.522315
H -1.326458 -5.708951 0.866269
H 4.138246 3.041946 -1.841964
H 4.807649 2.850613 1.213153


