%chk=000056720.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056720

0 1
 O    3.433000      -1.544700      0.2941000    
 N   -3.327400      -1.226900      8.9999998E-04
 N   -3.003800      0.9968000      0.3599000    
 C   -1.716300     -2.1199999E-02  -1.460900    
 C  -0.3387000     -0.3616000     -0.9827000    
 C   -2.707000     -6.4999998E-02 -0.3454000    
 C   0.5517000      0.6197000     -0.5175000    
 C   -4.193100      -1.007200       1.119700    
 C    1.840500      0.2329000     -7.9000004E-02
 C   -4.013600      0.5016000       1.345700    
 C   3.6200002E-02  -1.705000      -1.015300    
 C    2.201000      -1.123800     -0.1189000    
 C   0.1913000       1.976500     -0.4776000    
 C    1.303600      -2.085500     -0.5842000    
 C    2.731000       1.214200      0.3862000    
 C    1.088700       2.938100     -1.2200000E-02
 C    2.356100       2.557600      0.4189000    
 C    3.566800      -1.896800       1.668000    
 H   -1.763600      0.9433000      -1.974900    
 H   -2.030900     -0.7470000      -2.223400    
 H   -3.869200      -1.582900       1.991700    
 H   -5.231000      -1.258600      0.8835000    
 H   -4.958100       1.035100       1.194700    
 H   -3.663100      0.7063000       2.362900    
 H   -3.188800      -2.131000     -0.4334000    
 H  -0.6494000      -2.468800      -1.373000    
 H  -0.7821000       2.337000     -0.7937000    
 H    1.587300      -3.134100     -0.6135000    
 H    3.731400      0.9554000      0.7253000    
 H   0.7977000       3.984200      1.4900000E-02
 H    3.054400       3.307100      0.7800000    
 H    4.616500      -2.135700       1.859700    
 H    2.961400      -2.780200       1.894400    
 H    3.273500      -1.067300       2.319100    


%chk=000056720-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056720

0 1
O 3.520140 -1.239675 0.838053
N -2.953011 -0.803694 0.632252
N -3.651737 0.959495 -0.678826
C -1.699870 -0.367002 -1.520277
C -0.327192 -0.593612 -0.893895
C -2.788859 -0.026253 -0.520970
C 0.413283 0.496686 -0.293768
C -3.983823 -0.178787 1.495210
C 1.716569 0.247202 0.286655
C -4.579001 0.897406 0.508254
C 0.242866 -1.869944 -0.897247
C 2.252145 -1.094545 0.255063
C -0.097682 1.838473 -0.256485
C 1.526190 -2.137824 -0.328125
C 2.452995 1.324398 0.873699
C 0.641370 2.874996 0.321514
C 1.925423 2.618588 0.891746
C 4.122560 -2.573744 0.821464
H -1.684297 0.452317 -2.259855
H -2.001501 -1.283339 -2.062460
H -3.529255 0.287026 2.393227
H -4.740687 -0.912312 1.824930
H -5.587027 0.606291 0.157080
H -4.660157 1.895310 0.972853
H -2.209332 -1.399800 0.995462
H -0.305893 -2.698855 -1.361106
H -1.085390 2.049432 -0.679313
H 1.922378 -3.156352 -0.365588
H 3.435547 1.110076 1.302760
H 0.233442 3.891834 0.336565
H 2.495876 3.438659 1.341655
H 5.096642 -2.456393 1.318394
H 4.271260 -2.932611 -0.215435
H 3.502026 -3.300945 1.380512


