%chk=000081941.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081941

0 1
 S   -2.739300      -1.379800       1.174800    
 O   0.5691000      -2.999000       1.016600    
 O    5.403400       2.581900     -0.5059000    
 O    5.911900       1.269700       1.178800    
 N   0.4937000      -1.376600     -0.6774000    
 N  -0.9918000      -4.378800     -0.9803000    
 N    5.152300       1.602400      0.2371000    
 C   -1.279400      -3.013500     -0.5318000    
 C   -2.408900      -3.040400      0.5028000    
 C   4.0500000E-02  -2.483400      3.5300002E-02
 C   -3.266800     -0.5831000     -0.3583000    
 C   -3.629300      0.8617000     -0.1514000    
 C    1.670200     -0.6243000     -0.4465000    
 C    1.953000      0.4578000      -1.262900    
 C    2.513000     -0.9867000      0.5910000    
 C   -2.651800       1.839300     -0.2842000    
 C   -4.937000       1.200600      0.1707000    
 C    3.972100      0.8478000      5.5000000E-03
 C    3.112500       1.199200      -1.035300    
 C    3.672300     -0.2451000      0.8186000    
 C   -2.988000       3.179300     -9.1899998E-02
 C   -5.273200       2.540700      0.3629000    
 C   -4.298600       3.530000      0.2317000    
 H   -1.575500      -2.461400      -1.426600    
 H   -2.141300      -3.677600       1.353600    
 H   -3.332700      -3.442800      7.2600000E-02
 H   -2.475100     -0.6198000      -1.110900    
 H   -4.124700      -1.124600     -0.7736000    
 H  -6.9600001E-02  -1.053600      -1.460500    
 H  -0.7644000      -4.966000     -0.1779000    
 H   -1.832600      -4.785100      -1.389900    
 H    1.289400      0.7402000      -2.075500    
 H    2.353500      -1.818600       1.260500    
 H   -1.627200       1.577800     -0.5344000    
 H   -5.704000      0.4384000      0.2765000    
 H    3.313700       2.044400      -1.688700    
 H    4.320000     -0.5475000       1.637800    
 H   -2.229000       3.949600     -0.1936000    
 H   -6.293700       2.813900      0.6153000    
 H   -4.560300       4.573400      0.3817000    


%chk=000081941-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000081941

0 1
S -2.360972 -0.911065 1.134824
O 1.155216 -3.576807 -0.698841
O 5.364655 2.703868 0.721807
O 6.545568 0.839601 0.137054
N 0.524026 -1.385465 -0.128048
N -1.353265 -4.496383 -0.816655
N 5.434829 1.458445 0.375404
C -1.250579 -3.070439 -0.538248
C -2.038248 -2.756854 0.776116
C 0.262731 -2.710343 -0.456458
C -3.791742 -0.587040 -0.112760
C -4.005698 0.898012 -0.273055
C 1.774481 -0.736449 -0.009659
C 1.754854 0.636845 0.375513
C 3.019424 -1.381882 -0.263904
C -3.297148 1.626993 -1.263809
C -4.908434 1.591778 0.573549
C 4.174862 0.703061 0.244396
C 2.949016 1.359073 0.503875
C 4.216492 -0.656940 -0.135808
C -3.489361 3.018410 -1.408361
C -5.101113 2.984099 0.431795
C -4.391960 3.701240 -0.559500
H -1.680319 -2.440283 -1.353028
H -1.504095 -3.151189 1.656304
H -3.020124 -3.254531 0.720367
H -3.503711 -1.064758 -1.063762
H -4.678195 -1.094278 0.301058
H -0.314219 -0.824405 0.120204
H -0.449337 -4.958072 -0.958329
H -2.113278 -4.800369 -1.422475
H 0.796555 1.129957 0.575981
H 3.027107 -2.433901 -0.551886
H -2.597107 1.101890 -1.925788
H -5.458258 1.039445 1.345173
H 2.954819 2.411138 0.799301
H 5.184478 -1.128499 -0.324811
H -2.940512 3.568526 -2.180651
H -5.802776 3.507328 1.090581
H -4.542261 4.780643 -0.671164


