%chk=000035124.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035124

0 1
 S   0.6002000      -3.587300     -0.2463000    
 N   -2.526400      0.3088000      0.1650000    
 N    2.065700       1.205400     -0.1646000    
 N  -0.2364000      0.7885000      2.7999999E-03
 N    1.327900      -1.020100     -0.1972000    
 N   -1.021400      -1.478800     -2.8700000E-02
 C   -2.823700       1.733000      0.2472000    
 C   -3.641800     -0.6285000      0.2009000    
 C    1.803900       2.627800     -8.5299999E-02
 C    3.433600      0.7423000     -0.2792000    
 C   -1.212700     -0.1438000      4.1999999E-02
 C    1.000500      0.2797000     -0.1173000    
 C   -2.625900       2.260900       1.653100    
 C   -4.040100      -1.070600      -1.192100    
 C    1.390600       3.191800      -1.428900    
 C    3.992500      0.3250000       1.065400    
 C   0.2663000      -1.840800     -0.1467000    
 C    2.247100      -3.693400      0.5098000    
 H   -2.212200       2.304500     -0.4620000    
 H   -3.862700       1.917200     -5.3900000E-02
 H   -3.403900      -1.500600      0.8224000    
 H   -4.509200     -0.1595000      0.6823000    
 H    1.041500       2.851600      0.6712000    
 H    2.704900       3.156000      0.2517000    
 H    3.517200     -8.2500003E-02 -0.9977000    
 H    4.065700       1.541600     -0.6867000    
 H   -3.257800       1.722200       2.367200    
 H   -1.587700       2.156800       1.983900    
 H   -2.888800       3.322300       1.700600    
 H   -4.316400     -0.2115000      -1.812600    
 H   -3.226200      -1.598200      -1.699100    
 H   -4.900500      -1.745600      -1.144800    
 H    2.161900       3.010000      -2.185000    
 H   0.4596000       2.743900      -1.790100    
 H    1.236300       4.273000      -1.355300    
 H    3.953700       1.153100       1.781000    
 H    3.434800     -0.5123000       1.496400    
 H    5.037200      1.4800000E-02  0.9622000    
 H    2.536400      -4.744600      0.5889000    
 H    2.236500      -3.258600       1.513000    
 H    2.988400      -3.176500     -0.1057000    


%chk=000035124-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000035124

0 1
S 0.499262 -3.697432 0.129066
N -2.556539 0.300537 0.192496
N 2.071785 1.159127 -0.062386
N -0.251559 0.784270 0.060010
N 1.328736 -1.079478 0.034750
N -1.059240 -1.519592 0.150831
C -2.859528 1.746964 0.143417
C -3.682925 -0.654562 0.304078
C 1.830206 2.618389 -0.062770
C 3.468465 0.676126 -0.134489
C -1.259279 -0.149377 0.134754
C 1.020982 0.274376 0.010345
C -2.917462 2.390915 1.545985
C -4.220168 -1.105070 -1.071128
C 1.665219 3.194884 -1.485869
C 4.115627 0.514983 1.258298
C 0.244804 -1.892180 0.100678
C 2.374108 -3.789208 0.024080
H -2.078290 2.239982 -0.457939
H -3.827936 1.868790 -0.378087
H -3.331459 -1.534296 0.866691
H -4.480787 -0.160388 0.890661
H 0.917061 2.813391 0.523081
H 2.683334 3.099784 0.452122
H 3.469547 -0.294112 -0.656665
H 4.041371 1.399702 -0.745202
H -3.672992 1.897950 2.184882
H -1.934658 2.307576 2.040870
H -3.180797 3.462228 1.468191
H -4.543417 -0.242648 -1.682994
H -3.435160 -1.652955 -1.619353
H -5.087767 -1.778328 -0.941621
H 2.553258 2.987311 -2.110583
H 0.782370 2.748824 -1.974891
H 1.524885 4.291035 -1.443336
H 4.097746 1.464558 1.824103
H 3.572697 -0.249072 1.840522
H 5.169669 0.195265 1.158939
H 2.618074 -4.862586 0.068545
H 2.821731 -3.249664 0.870284
H 2.717630 -3.349020 -0.922564


