%chk=000129327.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129327

0 1
 O   -4.257900      -1.488800      0.1493000    
 O    2.596700       2.731500       1.121300    
 N   -2.662900     -2.6799999E-02 -0.4300000    
 N    1.466400      -1.129400      0.1361000    
 N   0.7851000       1.801800      1.9099999E-02
 N   -3.035900      -2.120500      0.4129000    
 N  -0.2004000      -2.536200      0.6453000    
 C   -5.012800      0.7613000     -0.7631000    
 C   -4.982300       2.131600     -0.1480000    
 C   -6.062800       1.162800      0.2337000    
 C   -3.947900     -0.2613000     -0.3446000    
 C   0.2907000     -0.5026000     -0.2182000    
 C   -2.144400      -1.195400      4.6000000E-02
 C  -0.7126000      -1.379300      0.1297000    
 C   0.2574000      0.8073000     -0.8981000    
 C    2.776300     -0.6182000     -3.8400002E-02
 C    3.059000      0.7637000     -3.2900002E-02
 C    1.103200      -2.370000      0.6137000    
 C    2.124400       1.843900      0.4078000    
 C    3.819200      -1.538000     -0.2484000    
 C  -0.1527000       2.806200      0.5055000    
 C    4.377900       1.186900     -0.2831000    
 C    5.119400      -1.095500     -0.4937000    
 C    5.396600      0.2652000     -0.5219000    
 H   -5.319300      0.6935000      -1.800800    
 H   -5.256700       2.971400     -0.7748000    
 H   -4.225500       2.357800      0.5935000    
 H   -6.028800      0.7402000       1.230600    
 H   -7.063100       1.352000     -0.1366000    
 H   0.8972000      0.7846000      -1.789000    
 H  -0.7342000       1.108600      -1.240100    
 H    1.820700      -3.103500      0.9568000    
 H    3.643300      -2.610400     -0.2686000    
 H  -0.5218000       3.383300     -0.3473000    
 H   0.3177000       3.487400       1.218800    
 H  -0.9888000       2.299800      0.9967000    
 H    4.635200       2.244300     -0.2804000    
 H    5.912600      -1.815700     -0.6718000    
 H    6.408200      0.6110000     -0.7131000    


%chk=000129327-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129327

0 1
O -4.392775 -1.670475 0.227117
O 2.565932 2.594429 1.677864
N -2.808934 -0.105647 -0.220465
N 1.444627 -1.170428 0.079056
N 0.735218 1.779007 0.492167
N -3.082421 -2.339314 0.420203
N -0.147227 -2.709010 0.586017
C -5.250894 0.541580 -0.409950
C -5.127249 1.609982 -1.526018
C -5.115207 2.046577 -0.068397
C -4.116537 -0.349382 -0.152185
C 0.208301 -0.537529 -0.128309
C -2.207246 -1.337805 0.134898
C -0.762799 -1.501659 0.188009
C 0.181251 0.894561 -0.563600
C 2.730889 -0.581866 -0.162001
C 3.007317 0.785684 0.142544
C 1.168700 -2.479915 0.509089
C 2.080518 1.773717 0.832420
C 3.744640 -1.415798 -0.698901
C -0.199642 2.664520 1.210196
C 4.324150 1.265041 -0.090731
C 5.037824 -0.911207 -0.929561
C 5.330254 0.439388 -0.626219
H -6.226648 0.073134 -0.262505
H -6.020952 1.796978 -2.126881
H -4.181785 1.630681 -2.073946
H -4.161004 2.360594 0.362903
H -5.999096 2.539021 0.345053
H 0.758724 1.029345 -1.499476
H -0.863320 1.182034 -0.752153
H 1.947835 -3.184846 0.785925
H 3.505405 -2.453203 -0.953998
H -0.617504 3.428971 0.528197
H 0.355771 3.168818 2.015353
H -1.030023 2.073645 1.637896
H 4.537653 2.299911 0.193279
H 5.808865 -1.565568 -1.349386
H 6.333790 0.840533 -0.799604


