%chk=000062865.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062865

0 1
 S   -2.460700       1.581700       1.440000    
 N  -0.7495000     -0.2095000     -0.4383000    
 N    3.217000      -3.032800      0.5914000    
 N    3.930500       3.383400      -1.243800    
 C    1.179900      -1.687600      0.1120000    
 C   0.1590000      -1.243500     -0.9505000    
 C    2.198900      -2.720700     -0.4058000    
 C   0.4793000      -2.229100       1.363400    
 C  -0.1860000       1.048800     -0.1069000    
 C   -2.130300     -0.5259000     -0.3767000    
 C  -0.8763000       1.959100      0.7176000    
 C   -3.013100      0.2283000      0.4214000    
 C    1.066500       1.463300     -0.6106000    
 C   -2.690500      -1.579200      -1.132200    
 C    3.976400      -1.832500      0.9447000    
 C    4.116800      -4.076900      9.8899998E-02
 C  -0.3164000       3.208900       1.036800    
 C   -4.383000     -8.5299999E-02  0.4732000    
 C    1.616300       2.708500     -0.2942000    
 C   -4.053600      -1.883500      -1.080800    
 C   0.9256000       3.581100      0.5331000    
 C   -4.900100      -1.137700     -0.2747000    
 C    2.893000       3.080900     -0.8181000    
 H    1.726000     -0.7965000      0.4260000    
 H   0.6564000     -0.9039000      -1.867300    
 H  -0.3314000      -2.169900      -1.252900    
 H    2.659900      -2.343600      -1.328700    
 H    1.655400      -3.635700     -0.6763000    
 H  -0.1882000      -1.483500       1.806600    
 H    1.191400      -2.505600       2.147300    
 H  -0.1189000      -3.115500       1.125500    
 H    1.640000      0.8281000      -1.281500    
 H   -2.117500      -2.169500      -1.839300    
 H    4.842700      -2.098800       1.562800    
 H    3.395200      -1.144000       1.565200    
 H    4.351500      -1.298300      6.4099997E-02
 H    3.556500      -4.988200     -0.1382000    
 H    4.846700      -4.351900      0.8685000    
 H    4.662200      -3.763100     -0.7986000    
 H  -0.8438000       3.907500       1.683300    
 H   -5.063600      0.4897000       1.098000    
 H   -4.451400      -2.694700      -1.683800    
 H    1.336700       4.552900      0.7941000    
 H   -5.960000      -1.369000     -0.2323000    


%chk=000062865-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000062865

0 1
S -2.417573 1.269144 1.791710
N -0.779260 -0.328260 -0.243234
N 3.419610 -3.029615 0.563220
N 3.666007 3.515776 -1.505315
C 1.275847 -1.693092 0.340589
C 0.150482 -1.395175 -0.687934
C 2.272750 -2.689062 -0.306797
C 0.700572 -2.234997 1.664446
C -0.272199 0.979472 -0.005610
C -2.192271 -0.524651 -0.368967
C -0.959590 1.874244 0.867080
C -3.094524 0.179252 0.474384
C 0.918179 1.437212 -0.624734
C -2.741588 -1.397747 -1.346826
C 4.341576 -1.897119 0.787480
C 4.133847 -4.234560 0.093881
C -0.485178 3.181930 1.092524
C -4.488130 0.016661 0.358334
C 1.419295 2.740633 -0.364834
C -4.136687 -1.593143 -1.439197
C 0.712336 3.622937 0.494597
C -5.017836 -0.889793 -0.588934
C 2.645786 3.165753 -0.986967
H 1.812957 -0.748867 0.554566
H 0.587315 -1.161190 -1.684193
H -0.445841 -2.315832 -0.806172
H 2.618361 -2.271598 -1.293346
H 1.732672 -3.631862 -0.529284
H 0.029844 -1.497240 2.139776
H 1.521606 -2.480565 2.358958
H 0.121688 -3.163192 1.490084
H 1.465826 0.789297 -1.313341
H -2.082260 -1.914584 -2.050415
H 5.163198 -2.220299 1.450715
H 3.820013 -1.063122 1.287117
H 4.794249 -1.505500 -0.159510
H 3.429754 -5.083151 0.027047
H 4.923530 -4.502990 0.818346
H 4.617715 -4.105300 -0.908256
H -1.046462 3.848869 1.754561
H -5.153770 0.585788 1.015810
H -4.532742 -2.283054 -2.192101
H 1.096633 4.628244 0.687351
H -6.100237 -1.033353 -0.664209


