%chk=000052095.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052095

0 1
 O   0.9345000      -1.495200       1.056600    
 O    3.275100      -1.814800     -0.1453000    
 N   -3.973300      0.2426000      0.2499000    
 N  -0.2403000      0.3065000      0.1941000    
 C   -5.019000       1.185500     -0.1464000    
 C   -4.247500     -0.9726000     -0.5164000    
 C   -6.267600      0.3164000     -0.1792000    
 C   -5.760300      -1.102300     -0.4188000    
 C   -2.635600      0.7623000      7.6000001E-03
 C   -1.570500     -0.2201000      0.4716000    
 C   0.9043000     -0.3918000      0.5180000    
 C    2.182300      0.2929000      0.1942000    
 C    3.300300     -0.4525000     -0.1205000    
 C    2.204100       1.673300      0.2209000    
 C    4.490600      0.2097000     -0.4214000    
 C    3.394500       2.335400     -7.9800002E-02
 C    4.537800       1.603700     -0.4010000    
 C    4.490600      -2.478900     -0.4841000    
 H   -4.833100       1.603600      -1.144200    
 H   -5.121600       2.011500      0.5643000    
 H   -3.763800      -1.860700     -9.8499998E-02
 H   -3.951300     -0.8697000      -1.568200    
 H   -6.959400      0.6375000     -0.9644000    
 H   -6.800100      0.3630000      0.7779000    
 H   -6.043500      -1.743900      0.4240000    
 H   -6.185700      -1.536500      -1.329200    
 H   -2.487700      0.9994000      -1.054900    
 H   -2.505900       1.703800      0.5571000    
 H   -1.640600     -0.4100000       1.548800    
 H   -1.633400      -1.182600     -4.6399999E-02
 H  -0.1846000       1.179500     -0.3202000    
 H    1.347300       2.278000      0.5003000    
 H    5.417800     -0.2901000     -0.6790000    
 H    3.433900       3.420600     -5.5900000E-02
 H    5.464500       2.120500     -0.6331000    
 H    4.288000      -3.554700     -0.4554000    
 H    5.276500      -2.285200      0.2538000    
 H    4.808700      -2.243900      -1.505700    


%chk=000052095-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052095

0 1
O 0.488155 -0.547131 1.419571
O 3.209956 -1.578078 0.543066
N -3.828009 -0.152076 0.076715
N -0.130266 -0.230414 -0.802164
C -4.717125 0.685580 0.921437
C -4.580609 -0.389629 -1.184448
C -6.095324 0.015797 0.734511
C -6.074081 -0.487335 -0.746855
C -2.459749 0.361811 -0.089622
C -1.499276 -0.735552 -0.610579
C 0.779499 -0.167396 0.246234
C 2.114542 0.437674 -0.132263
C 3.337141 -0.262325 0.092086
C 2.168482 1.754069 -0.646574
C 4.578227 0.366679 -0.177756
C 3.403240 2.386470 -0.922829
C 4.604530 1.687218 -0.681126
C 4.433618 -2.318201 0.859336
H -4.751581 1.749883 0.569581
H -4.368539 0.683820 1.969305
H -4.227853 -1.308314 -1.686642
H -4.442928 0.461855 -1.901360
H -6.928322 0.711657 0.936159
H -6.186422 -0.839677 1.425537
H -6.449575 -1.522251 -0.815655
H -6.709222 0.139566 -1.397262
H -2.423476 1.244081 -0.783779
H -2.083301 0.695422 0.894178
H -1.472953 -1.552649 0.130749
H -1.857435 -1.145218 -1.572214
H 0.182681 0.043961 -1.734267
H 1.230190 2.300018 -0.800431
H 5.519969 -0.162716 -0.006418
H 3.423654 3.410773 -1.308338
H 5.569662 2.165140 -0.883294
H 4.085529 -3.293700 1.228133
H 5.018397 -1.807556 1.648482
H 5.064571 -2.461054 -0.040103


