%chk=000178379.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178379

0 1
 S   0.4282000      -2.175200       1.046500    
 P  -3.9099999E-02 -0.6991000     -0.3933000    
 O  -8.5600004E-02  -1.367400      -1.751300    
 N   -1.449100      1.6200000E-02  7.6499999E-02
 N    1.120500      0.4660000     -0.2594000    
 C   -1.938400       1.181000     -0.6570000    
 C   -2.624400     -0.8205000      0.3190000    
 C    1.373700       1.075500       1.044100    
 C    2.438900      0.2278000     -0.8469000    
 C   -3.245100       1.500500      3.9999999E-02
 C   -3.794900      0.1439000      0.4501000    
 C    2.510100       2.035700      0.7583000    
 C    3.333400       1.337400     -0.3118000    
 C    1.971800      -2.921800      0.4852000    
 H   -2.109000      0.9299000      -1.710500    
 H   -1.247400       2.027500     -0.6081000    
 H   -2.515700      -1.421700       1.226400    
 H   -2.793900      -1.501100     -0.5237000    
 H    1.693100      0.3354000       1.785400    
 H   0.4999000       1.604600       1.435300    
 H    2.385800      0.2614000      -1.939900    
 H    2.860100     -0.7368000     -0.5688000    
 H   -3.937800       2.050100     -0.6043000    
 H   -3.060000       2.108900      0.9338000    
 H   -4.180400      0.1792000       1.474600    
 H   -4.615900     -0.1587000     -0.2092000    
 H    3.099800       2.262900       1.651500    
 H    2.118100       2.981100      0.3635000    
 H    3.622600       2.042700      -1.098200    
 H    4.249300      0.9170000      0.1180000    
 H    2.042300      -3.937200      0.8846000    
 H    2.825400      -2.353100      0.8602000    
 H    2.003700      -2.976500     -0.6053000    


%chk=000178379-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178379

0 1
S 0.636579 -2.016224 1.549899
P 0.205804 -0.673635 -0.333152
O 0.438397 -1.534977 -1.674445
N -1.351328 -0.058151 0.097348
N 1.190022 0.758680 -0.306951
C -1.892521 1.216180 -0.467107
C -2.451601 -0.969181 0.553982
C 1.431137 1.487830 0.975263
C 2.367174 0.873306 -1.224177
C -3.319842 1.264048 0.122221
C -3.743099 -0.226415 0.128420
C 2.737337 2.279507 0.710777
C 3.499270 1.394265 -0.308972
C 1.431288 -3.453204 0.607299
H -1.926870 1.189756 -1.576322
H -1.270603 2.075264 -0.163355
H -2.398565 -1.101089 1.650076
H -2.372932 -1.967623 0.087506
H 1.563031 0.766135 1.808793
H 0.581992 2.150280 1.224432
H 2.140076 1.601224 -2.027628
H 2.584768 -0.098608 -1.699929
H -3.992816 1.902788 -0.475324
H -3.289558 1.658455 1.154499
H -4.583161 -0.434060 0.812732
H -4.043186 -0.535937 -0.889635
H 3.303988 2.455426 1.640927
H 2.503594 3.262002 0.260529
H 4.267826 1.952749 -0.870042
H 3.990686 0.550293 0.209440
H 0.944248 -4.381883 0.940142
H 2.510316 -3.479695 0.818570
H 1.248548 -3.291908 -0.470514


