%chk=000138509.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138509

0 1
 O   7.3600002E-02   2.342400      0.5188000    
 O    2.649600      -1.404200     -6.8000004E-02
 N   0.4220000     -0.9291000     -0.5956000    
 N    1.651000      0.6468000      0.3829000    
 C  -0.5006000      0.1810000     -0.4714000    
 C   -1.670600     -0.1731000      0.4364000    
 C   0.4110000       1.209800      0.2015000    
 C  -0.9524000      0.6782000      -1.838000    
 C   -2.602000      -1.174200     -0.2471000    
 C   -1.172000     -0.7323000       1.768700    
 C    1.690300     -0.6454000     -8.8200003E-02
 H   -2.252100      0.7327000      0.6545000    
 H   0.1818000      -1.822100      -1.014600    
 H   -1.363200     -0.1263000      -2.457300    
 H   -1.704100       1.470000      -1.746200    
 H  -0.1097000       1.102000      -2.398400    
 H   -2.077800      -2.083100     -0.5592000    
 H   -3.399500      -1.479000      0.4405000    
 H   -3.096100     -0.7405000      -1.121700    
 H  -0.6309000      -1.677200       1.652500    
 H   -2.024600     -0.9371000       2.427100    
 H  -0.5302000     -2.5800001E-02   2.303600    
 H    2.437300       1.122700      0.8101000    


%chk=000138509-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000138509

0 1
O 0.056696 2.355745 0.614424
O 2.759779 -1.426810 -0.190297
N 0.470539 -0.951875 -0.663665
N 1.669919 0.631075 0.370633
C -0.487048 0.164762 -0.489780
C -1.704689 -0.210639 0.431411
C 0.408449 1.212834 0.236552
C -0.930083 0.757000 -1.851565
C -2.627194 -1.268524 -0.219823
C -1.244955 -0.683577 1.830569
C 1.742272 -0.694764 -0.174499
H -2.274347 0.732531 0.553550
H 0.257134 -1.822703 -1.145373
H -1.491912 0.015583 -2.444392
H -1.571024 1.639526 -1.684107
H -0.051408 1.071904 -2.440741
H -2.091860 -2.223127 -0.389349
H -3.474221 -1.489586 0.454104
H -3.052439 -0.931454 -1.181175
H -0.623790 -1.595340 1.758783
H -2.123406 -0.921178 2.456713
H -0.663232 0.093880 2.356906
H 2.477620 1.080936 0.802020


