%chk=000111748.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111748

1 1
 O    5.575000      -1.450500     -0.1852000    
 N   0.7203000       1.224600      0.2632000    
 N   -5.252200     -0.7727000     -8.8500001E-02
 N  -0.4223000      0.4863000      0.3536000    
 C    1.951300      0.5468000      0.1497000    
 C   -2.795700      0.4183000     -0.1241000    
 C    3.111700       1.254600     -0.1639000    
 C    2.009200     -0.8327000      0.3502000    
 C   -3.893800       1.068700     -0.6790000    
 C   -2.951900     -0.8401000      0.4490000    
 C   -5.130000      0.4395000     -0.6468000    
 C   -4.212000      -1.421100      0.4530000    
 C    4.386900     -0.7958000     -7.6499999E-02
 C    4.329200      0.5835000     -0.2771000    
 C    3.226700      -1.503900      0.2372000    
 C   -1.488000       1.053800     -0.1416000    
 C   0.6794000       2.615700      0.7030000    
 C   -6.566000      -1.409500     -6.9399998E-02
 C    6.722200     -0.6653000     -0.5068000    
 H    3.097300       2.326800     -0.3391000    
 H    1.128400      -1.417200      0.6017000    
 H   -3.800800       2.050200      -1.133400    
 H   -2.121300      -1.381100      0.8913000    
 H   -6.021000      0.8908000      -1.066400    
 H   -4.397500      -2.399900      0.8787000    
 H    5.190800       1.193700     -0.5260000    
 H    3.266000      -2.578200      0.3959000    
 H   -1.437300       2.042800     -0.6338000    
 H    1.427600       2.805000       1.481900    
 H  -0.2844000       2.894800       1.143500    
 H   0.8719000       3.286800     -0.1408000    
 H   -6.649800      -2.052000      0.8115000    
 H   -7.344800     -0.6434000     -2.1299999E-02
 H   -6.661900      -1.998400     -0.9853000    
 H    6.629100     -0.2031000      -1.495500    
 H    7.578000      -1.346900     -0.5521000    
 H    6.939500      6.9200002E-02  0.2761000    


%chk=000111748-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000111748

1 1
O 5.414501 -1.640375 0.204542
N 0.714492 1.501169 0.086375
N -5.187217 -0.952348 -0.114804
N -0.433316 0.808956 0.043321
C 1.932288 0.735316 0.102020
C -2.813357 0.614431 0.003409
C 3.149130 1.294738 -0.360615
C 1.913729 -0.606200 0.578001
C -4.119661 1.210100 0.049368
C -2.770904 -0.820048 -0.111917
C -5.264882 0.425745 -0.010153
C -3.940699 -1.561524 -0.168367
C 4.313682 -0.799185 0.135555
C 4.336418 0.536347 -0.344715
C 3.089733 -1.362454 0.594638
C -1.628578 1.426780 0.066143
C 0.735945 2.982229 0.172036
C -6.424461 -1.770994 -0.225878
C 6.720617 -1.125197 -0.239611
H 3.185719 2.307187 -0.774547
H 0.975513 -1.032643 0.939803
H -4.235485 2.294083 0.136859
H -1.804997 -1.326300 -0.160264
H -6.268126 0.855625 0.023573
H -3.938882 -2.649933 -0.258860
H 5.259835 0.987714 -0.716762
H 3.098345 -2.389093 0.971392
H -1.757646 2.517476 0.117700
H 1.759446 3.326021 0.362823
H 0.104697 3.312027 1.017556
H 0.359212 3.438427 -0.761685
H -6.266634 -2.748198 0.255644
H -7.253957 -1.259680 0.285601
H -6.689011 -1.924443 -1.286039
H 6.695644 -0.857063 -1.312295
H 7.420903 -1.956147 -0.079195
H 7.027764 -0.252448 0.366252


