%chk=000080537.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080537

0 1
 S   -4.720300       1.312000     -4.4399999E-02
 O   -4.741300       1.762800       1.527100    
 O   -4.026000       2.360800     -0.7773000    
 O   -6.068900      0.9146000     -0.4178000    
 N   0.3974000     -0.9638000      0.5555000    
 N    5.941000     -0.7706000     -0.2598000    
 N  -0.1885000      -1.066600     -0.5458000    
 C    2.408000      0.3865000      0.1817000    
 C    3.807300      0.4353000     -2.4300000E-02
 C    1.781600     -0.8593000      0.3490000    
 C    4.539000     -0.7629000     -5.6699999E-02
 C    1.676300       1.584800      0.2140000    
 C    4.433700       1.681100     -0.1918000    
 C    2.524200      -2.039900      0.3139000    
 C    3.900100      -1.991800      0.1115000    
 C    2.315100       2.813600      4.5699999E-02
 C    3.691200       2.861700     -0.1568000    
 C   -3.732700     -0.1267000     -9.5799997E-02
 C   -1.574700      -1.171600     -0.3395000    
 C   -2.356800     -2.1400001E-02 -0.2989000    
 C   -4.319800      -1.381600      6.5800004E-02
 C   -2.155000      -2.425900     -0.1791000    
 C   -3.531000      -2.531200      2.4000000E-02
 H   0.6011000       1.591900      0.3751000    
 H    5.502300       1.783300     -0.3530000    
 H    2.038300      -3.003600      0.4446000    
 H    4.464300      -2.920900      8.6900003E-02
 H    1.738000       3.733300      7.4100003E-02
 H    4.187200       3.819100     -0.2874000    
 H   -1.885600      0.9503000     -0.4212000    
 H   -5.387900      -1.488400      0.2329000    
 H   -1.547900      -3.326800     -0.2108000    
 H    6.430700      -1.656200     -0.2760000    
 H    6.472100      7.7000000E-02 -0.3879000    
 H   -3.987700      -3.508300      0.1513000    
 H   -3.863400       1.993800       1.912400    


%chk=000080537-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080537

0 1
S -4.656049 1.336504 0.086523
O -4.762800 1.473129 1.942060
O -3.700655 2.524304 -0.457736
O -6.157956 1.168507 -0.496685
N 0.396804 -0.566559 -0.038792
N 6.052314 -0.833103 -0.081423
N -0.266771 -1.704990 -0.009859
C 2.550191 0.569173 -0.104460
C 3.995862 0.536266 -0.115437
C 1.799739 -0.674323 -0.052425
C 4.671097 -0.750022 -0.073937
C 1.889496 1.838597 -0.147395
C 4.715799 1.774170 -0.167710
C 2.501098 -1.904847 -0.014479
C 3.903185 -1.943590 -0.024425
C 2.618440 3.029340 -0.198163
C 4.045326 2.999327 -0.208203
C -3.751244 -0.316956 0.067999
C -1.685373 -1.548352 0.012369
C -2.358699 -0.290954 0.048632
C -4.544282 -1.479375 0.052622
C -2.447477 -2.748457 0.003233
C -3.857697 -2.715163 0.018383
H 0.796859 1.845879 -0.140897
H 5.812225 1.784846 -0.177630
H 1.916631 -2.829054 0.024768
H 4.422674 -2.909028 0.007385
H 2.094547 3.990489 -0.231436
H 4.612410 3.935270 -0.248445
H -1.782398 0.638766 0.048589
H -5.636325 -1.416169 0.053424
H -1.903882 -3.698179 -0.022299
H 6.508870 -1.741315 -0.052011
H 6.641656 -0.007251 -0.115424
H -4.427967 -3.649204 0.005505
H -5.244248 2.326722 2.148979


