%chk=000132933.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132933

0 1
 S  -0.6732000       1.958600       1.960600    
 O    3.485300      -1.020300      9.3000000E-03
 O   -1.641200       2.547100       2.867300    
 O   0.6456000       2.548300       1.832800    
 O    5.664100       1.766100     -0.5917000    
 O    5.638500     -0.3196000      -1.506400    
 N  -0.5393000      0.2784000       2.304500    
 N   -1.931300      -1.684100      0.8929000    
 C   0.1126000     -0.5685000       1.350100    
 C  -0.6125000      -1.538500      0.6635000    
 C   7.5300001E-02  -2.347800     -0.2649000    
 C   -1.417200       1.945700      0.3546000    
 C    1.481700     -0.3899000       1.136900    
 C    1.452300      -2.168300     -0.4796000    
 C    2.152800      -1.190600      0.2210000    
 C  -0.6542000      -3.324400     -0.9564000    
 C   -2.598800      -2.638400      0.2047000    
 C   -2.796200       1.957200      0.2508000    
 C  -0.6040000       1.924500     -0.7638000    
 C   -2.013200      -3.476800     -0.7221000    
 C   -2.579200       1.926000      -2.155100    
 C   -3.382300       1.947300      -1.015000    
 C   -1.189900       1.914800      -2.029600    
 C   -4.058000      -2.765900      0.4888000    
 C   -3.205500       1.916800      -3.508500    
 C    4.009600      0.2949000      0.1886000    
 C    5.178200      0.5072000     -0.7334000    
 H   -1.358100     -0.1482000       2.758100    
 H    2.014500      0.3447000       1.733600    
 H    1.982000      -2.792800      -1.196400    
 H  -0.1669000      -3.971600      -1.682000    
 H   -3.438400       1.963900       1.125900    
 H   0.4787000       1.917700     -0.6888000    
 H   -2.583500      -4.230300      -1.254000    
 H   -4.465900       1.952000      -1.099800    
 H  -0.5535000       1.896500      -2.910300    
 H   -4.377500      -2.036100       1.240100    
 H   -4.639900      -2.589100     -0.4213000    
 H   -4.285800      -3.765800      0.8713000    
 H   -3.374700      0.8864000      -3.836700    
 H   -4.164700       2.445700      -3.503600    
 H   -2.566800       2.418900      -4.243200    
 H    3.269600       1.062700     -7.0500001E-02
 H    4.352900      0.4050000       1.222400    
 H    6.428600       1.932200      -1.183500    


%chk=000132933-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000132933

0 1
S -0.674667 2.103048 1.615579
O 3.642737 -1.065418 -0.258433
O -1.566167 2.720523 2.819606
O 0.842326 2.592392 1.290067
O 6.442660 1.149176 0.371240
O 6.239558 -0.630310 -1.121219
N -0.524936 0.231078 2.067504
N -1.798565 -1.902654 0.893608
C 0.210959 -0.589424 1.190740
C -0.455758 -1.731283 0.605089
C 0.303386 -2.636085 -0.223908
C -1.671627 2.257873 0.014789
C 1.574118 -0.356386 0.932028
C 1.676255 -2.372274 -0.492518
C 2.288696 -1.242007 0.073029
C -0.409156 -3.770958 -0.743276
C -2.443093 -2.973411 0.383515
C -3.064566 2.404538 0.119107
C -0.983552 2.232287 -1.208906
C -1.759369 -3.936542 -0.442895
C -3.159095 2.491842 -2.345877
C -3.801530 2.526059 -1.078753
C -1.746457 2.351041 -2.391662
C -3.912124 -3.139675 0.705808
C -3.969071 2.593061 -3.625114
C 4.327828 0.086567 0.308542
C 5.741305 0.107237 -0.255475
H -1.500693 -0.125153 2.163293
H 2.048174 0.505557 1.405809
H 2.267682 -3.037233 -1.129287
H 0.120210 -4.497348 -1.370364
H -3.546755 2.453749 1.100866
H 0.107707 2.153053 -1.231889
H -2.318505 -4.795820 -0.827758
H -4.888829 2.654602 -1.028146
H -1.235170 2.340983 -3.361025
H -4.258644 -2.298277 1.325365
H -4.522465 -3.178615 -0.216025
H -4.094794 -4.081689 1.256648
H -4.283382 1.589303 -3.971199
H -4.885054 3.191172 -3.478878
H -3.384899 3.052861 -4.440769
H 3.825021 1.038489 0.041719
H 4.383496 0.028831 1.413726
H 7.367403 1.196840 0.006901


