%chk=000083639.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083639

0 1
 O   -4.575900       1.256900      0.3610000    
 O   -4.751600     -0.9274000      0.2295000    
 N    1.523700     -0.2874000     -0.4747000    
 N   -4.061800      0.1209000      0.2206000    
 C    4.243800       1.083100      0.4784000    
 C    4.093200     -0.2929000       1.125200    
 C    2.953900       1.676000     -8.4899999E-02
 C    3.714700      -1.390400      0.1305000    
 C    2.273500      0.7882000      -1.124700    
 C    2.208600      -1.528500     -0.1002000    
 C   0.1380000     -0.1861000     -0.3023000    
 C  -0.4887000       1.068700     -0.1396000    
 C  -0.6826000      -1.335000     -0.2846000    
 C   -1.869200       1.169700      3.2400001E-02
 C   -2.063100      -1.234000     -0.1126000    
 C   -2.656500      1.8300001E-02  4.6100002E-02
 H    4.643600       1.778200       1.227100    
 H    4.995100       1.028400     -0.3196000    
 H    5.062900     -0.5553000       1.567000    
 H    3.374500     -0.2520000       1.952000    
 H    2.273100       1.903800      0.7435000    
 H    3.205200       2.633900     -0.5568000    
 H    4.242500      -1.246400     -0.8196000    
 H    4.071600      -2.350400      0.5257000    
 H    1.612100       1.399500      -1.751700    
 H    3.009100      0.3763000      -1.826000    
 H    2.048400      -2.281000     -0.8821000    
 H    1.775000      -1.922300      0.8287000    
 H   8.5699998E-02   1.990900     -0.1322000    
 H  -0.2630000      -2.328800     -0.4193000    
 H   -2.297000       2.161400      0.1555000    
 H   -2.645600      -2.151800     -0.1105000    


%chk=000083639-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000083639

0 1
O -4.651007 1.294855 0.232679
O -4.762317 -0.969745 0.533685
N 1.525869 -0.277430 -0.566454
N -4.098898 0.120272 0.290170
C 4.252044 1.076405 0.609074
C 4.080139 -0.372940 1.129075
C 2.976136 1.720234 0.020607
C 3.733862 -1.406599 0.023905
C 2.306806 0.865256 -1.088058
C 2.225378 -1.553267 -0.274949
C 0.152933 -0.174259 -0.358890
C -0.522076 1.096002 -0.389875
C -0.647244 -1.342089 -0.102963
C -1.902114 1.190761 -0.182166
C -2.027152 -1.245701 0.109298
C -2.658542 0.020301 0.070104
H 4.624373 1.714373 1.434506
H 5.045571 1.076898 -0.167298
H 5.027955 -0.676936 1.613977
H 3.301429 -0.401575 1.918145
H 2.233760 1.901197 0.821880
H 3.237386 2.710226 -0.404580
H 4.300625 -1.170511 -0.897939
H 4.076464 -2.412631 0.336114
H 1.640190 1.489354 -1.707518
H 3.082359 0.478144 -1.775218
H 2.084699 -2.273369 -1.110636
H 1.751716 -1.998425 0.621128
H 0.042450 2.018210 -0.547614
H -0.191188 -2.334719 -0.104460
H -2.412677 2.157511 -0.197088
H -2.635730 -2.135301 0.293159


