%chk=000178052.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178052

0 1
 O  -6.0800001E-02  9.3500003E-02  0.9538000    
 N    3.426400      -1.022000      0.3627000    
 N   -3.364000      0.7719000     -0.4496000    
 C    2.303400     -0.1226000      0.6688000    
 C    2.384500       1.023800     -0.3368000    
 C    3.821500      0.9746000     -0.8138000    
 C    4.100900     -0.5129000     -0.8315000    
 C   0.9595000     -0.8377000      0.6351000    
 C   -1.294200     -0.1186000      0.3908000    
 C   -2.140800      0.9301000      0.1038000    
 C   -1.703700      -1.407900      0.1031000    
 C   -1.736200       2.336300      0.4016000    
 C   -2.955700      -1.610900     -0.4667000    
 C   -3.740700     -0.4978000     -0.7211000    
 H    2.462800      0.2886000       1.673600    
 H    2.138000       1.991200      0.1119000    
 H    1.711600      0.8606000      -1.187900    
 H    3.950600       1.439300      -1.795400    
 H    4.478300       1.484100     -9.8300003E-02
 H    3.667600     -0.9718000      -1.728100    
 H    5.171700     -0.7333000     -0.8117000    
 H    3.116600      -1.980900      0.2164000    
 H   0.9462000      -1.646900       1.375400    
 H   0.8241000      -1.269600     -0.3662000    
 H   -1.101900      -2.282200      0.3294000    
 H   -1.552900       2.462400       1.473400    
 H  -0.8284000       2.597700     -0.1517000    
 H   -2.521300       3.042000      0.1101000    
 H   -3.309400      -2.609200     -0.6979000    
 H   -4.726100     -0.6024000      -1.163000    


%chk=000178052-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178052

0 1
O -0.082662 0.328252 0.354020
N 3.470390 -0.894990 0.576848
N -3.714268 0.659636 -0.015460
C 2.318416 0.042430 0.584817
C 2.688038 1.103971 -0.499508
C 4.177884 0.828800 -0.842996
C 4.308333 -0.696048 -0.625402
C 0.992421 -0.681178 0.271693
C -1.397164 -0.082658 0.100927
C -2.398948 0.936064 0.210486
C -1.776575 -1.399909 -0.245471
C -2.018875 2.349818 0.581921
C -3.146496 -1.667943 -0.476650
C -4.076173 -0.616664 -0.352499
H 2.212393 0.516728 1.580577
H 2.514403 2.131551 -0.142147
H 2.053646 0.956240 -1.393638
H 4.440945 1.137124 -1.869687
H 4.841982 1.357996 -0.136877
H 3.949453 -1.243074 -1.531237
H 5.351439 -1.007114 -0.433223
H 3.309067 -1.851485 0.903383
H 0.796214 -1.485036 1.013436
H 1.022856 -1.124130 -0.746425
H -1.036676 -2.200382 -0.336738
H -1.503677 2.379770 1.559808
H -1.314576 2.779855 -0.154436
H -2.928490 2.968032 0.624653
H -3.480013 -2.675017 -0.747332
H -5.145685 -0.781240 -0.522643


