%chk=000052893.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052893

0 1
 O    5.462700      -2.813900     -9.3000002E-02
 N    3.916300     -0.2286000     -0.3864000    
 N    3.633600       1.802100      0.6152000    
 C    4.900900       1.856800     -0.1867000    
 C    4.984100      0.5325000     -0.9878000    
 C    3.184600      0.5844000      0.4372000    
 C    1.923400      0.1279000       1.102900    
 C    3.576400      -1.544900     -0.8595000    
 C   0.7307000      0.4385000      0.2052000    
 C    4.828900       3.070600      -1.112000    
 C    6.069400       1.994400      0.7925000    
 C  -0.6116000      2.6600000E-02  0.8143000    
 C   -1.809600      0.3620000     -7.6499999E-02
 C    4.071100      -2.595800      0.1310000    
 C   -3.126400     -4.0700000E-02  0.5914000    
 C   -4.323600      0.2627000     -0.3112000    
 C   -5.642000     -0.1089000      0.3695000    
 C   -6.841600      0.2253000     -0.5205000    
 C    3.335300      -3.916200     -5.4099999E-02
 C   -8.160500     -0.1163000      0.1765000    
 C   -9.394700      0.2214000     -0.6628000    
 C   -10.70740     -0.1399000      1.4800000E-02
 H    5.951300      3.1599998E-02 -0.8770000    
 H    4.786300      0.6867000      -2.054500    
 H    1.821500      0.6560000       2.058100    
 H    1.971100     -0.9414000       1.326000    
 H    2.493200      -1.622800     -0.9956000    
 H    4.027600      -1.715300      -1.845200    
 H   0.7096000       1.515500     -7.1000000E-03
 H   0.8495000     -5.5500001E-02 -0.7663000    
 H    3.960800       3.008000      -1.778000    
 H    5.728500       3.149000      -1.731800    
 H    4.728500       3.998700     -0.5381000    
 H    7.026000       2.044700      0.2615000    
 H    6.109000       1.144400       1.483200    
 H    5.969700       2.900900       1.400100    
 H  -0.5984000      -1.052200       1.013100    
 H  -0.7315000      0.5262000       1.783800    
 H   -1.818900       1.437700     -0.2897000    
 H   -1.706900     -0.1578000      -1.036600    
 H    3.950600      -2.257500       1.166200    
 H   -3.108100      -1.111700      0.8269000    
 H   -3.234600      0.4975000       1.540900    
 H   -4.225800     -0.2919000      -1.252300    
 H   -4.329800       1.330000     -0.5639000    
 H   -5.645500      -1.179800      0.6060000    
 H   -5.728800      0.4325000       1.319500    
 H   -6.769300     -0.3306000      -1.463000    
 H   -6.828200       1.292700     -0.7718000    
 H    3.485300      -4.309600      -1.065700    
 H    3.723100      -4.672000      0.6375000    
 H    2.261700      -3.801900      0.1241000    
 H   -8.173700      -1.186100      0.4191000    
 H   -8.218600      0.4247000       1.129200    
 H    5.763600      -3.476500      0.5520000    
 H   -9.336300     -0.3063000      -1.622300    
 H   -9.396600       1.294100     -0.8901000    
 H   -11.55290      0.1233000     -0.6284000    
 H   -10.75710      -1.213500      0.2216000    
 H   -10.81830      0.3980000      0.9616000    


%chk=000052893-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052893

0 1
O 5.606596 -2.615697 -0.312794
N 3.846631 -0.175953 -0.527463
N 3.873360 1.691498 0.836095
C 5.097970 1.805718 -0.054748
C 5.144330 0.459883 -0.878776
C 3.246913 0.578133 0.498158
C 1.925766 0.172615 1.111253
C 3.521141 -1.551007 -0.894888
C 0.709434 0.468173 0.191444
C 4.898595 3.029120 -0.980734
C 6.349797 1.986840 0.828330
C -0.637369 0.147769 0.876728
C -1.858806 0.388660 -0.038617
C 4.158527 -2.645748 -0.004378
C -3.209595 0.113940 0.660455
C -4.428904 0.293323 -0.271982
C -5.781463 0.044927 0.433178
C -6.997722 0.176263 -0.511553
C 3.564260 -4.037335 -0.286639
C -8.351894 -0.057905 0.195341
C -9.565840 0.049629 -0.756070
C -10.915040 -0.181253 -0.041502
H 5.985358 -0.192806 -0.581327
H 5.208988 0.641129 -1.969359
H 1.820246 0.748398 2.046942
H 1.928693 -0.902292 1.383799
H 2.423532 -1.684602 -0.874687
H 3.854913 -1.734015 -1.934544
H 0.737844 1.537196 -0.096104
H 0.791710 -0.111464 -0.750888
H 4.008969 2.889346 -1.621510
H 5.781604 3.180233 -1.630968
H 4.743478 3.939174 -0.374936
H 7.261252 2.083404 0.207875
H 6.475528 1.122838 1.504978
H 6.246645 2.894703 1.448637
H -0.638324 -0.910067 1.215888
H -0.735066 0.767400 1.792260
H -1.842033 1.436327 -0.404650
H -1.775018 -0.255799 -0.938978
H 4.001324 -2.374992 1.063009
H -3.209381 -0.920084 1.065433
H -3.312674 0.789541 1.535168
H -4.333641 -0.398869 -1.134898
H -4.419495 1.319588 -0.695370
H -5.778183 -0.969467 0.884925
H -5.892173 0.759115 1.275811
H -6.890972 -0.547225 -1.347012
H -6.995739 1.185851 -0.973707
H 3.698431 -4.305807 -1.350292
H 4.058965 -4.813836 0.327134
H 2.484068 -4.065139 -0.050614
H -8.349482 -1.061224 0.671199
H -8.468033 0.676006 1.020247
H 6.071178 -3.294244 0.239812
H -9.449427 -0.686453 -1.577747
H -9.565789 1.050676 -1.234140
H -11.766163 -0.095550 -0.742064
H -10.953942 -1.187983 0.416143
H -11.066277 0.559201 0.766695


