%chk=000088678.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088678

0 1
 O    2.358800       1.782000     -0.4725000    
 N    1.673500     -0.3851000      0.1293000    
 C   -2.503200     -0.1340000      4.6500001E-02
 C   -3.947300     -4.7300000E-02  1.6700000E-02
 C   0.2811000     -0.3016000      0.1016000    
 C   -1.730900      0.9854000     -0.2631000    
 C   -1.883400      -1.337300      0.3838000    
 C  -0.3388000      0.9017000     -0.2357000    
 C  -0.4913000      -1.421200      0.4112000    
 C   -4.647700      0.3201000       1.165900    
 C   -4.639100     -0.3304000      -1.161000    
 C    4.031100      0.2182000     -6.1500002E-02
 C    2.604000      0.6248000     -0.1493000    
 C   -6.039700      0.4039000       1.137400    
 C   -6.031200     -0.2463000      -1.189400    
 C   -6.731400      0.1208000     -4.0199999E-02
 C    4.977600       1.174200      0.2417000    
 C    4.361800      -1.101800     -0.2855000    
 C    6.316800      0.7928000      0.3245000    
 C    5.700900      -1.483200     -0.2026000    
 C    6.678300     -0.5358000      0.1024000    
 H   -2.199200       1.930600     -0.5282000    
 H   -2.470600      -2.219600      0.6276000    
 H   0.1884000       1.810900     -0.4876000    
 H  -2.2000000E-02  -2.365500      0.6755000    
 H    2.022400      -1.290700      0.4300000    
 H   -4.124000      0.5443000       2.092300    
 H   -4.108900     -0.6180000      -2.065800    
 H   -6.585200      0.6898000       2.032100    
 H   -6.570000     -0.4667000      -2.106300    
 H   -7.815300      0.1861000     -6.2399998E-02
 H    4.712600       2.211500      0.4234000    
 H    3.641400      -1.862800     -0.5658000    
 H    7.077900       1.530000      0.5629000    
 H    5.984500      -2.515700     -0.3849000    
 H    7.721200     -0.8325000      0.1649000    


%chk=000088678-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000088678

0 1
O 2.407747 1.890670 0.304150
N 1.714226 -0.341224 0.072018
C -2.566776 -0.104026 0.024367
C -4.055505 -0.046411 0.003954
C 0.298632 -0.207400 0.063320
C -1.779191 1.077981 0.086227
C -1.875719 -1.346900 -0.016812
C -0.371832 1.044723 0.108006
C -0.471769 -1.400822 0.002084
C -4.758431 0.982355 0.691687
C -4.817912 -1.016944 -0.704793
C 4.112660 0.177395 0.074074
C 2.685099 0.659884 0.154215
C -6.168033 1.040020 0.670459
C -6.227747 -0.962587 -0.724399
C -6.911860 0.067120 -0.037208
C 5.113102 1.026610 0.613323
C 4.499647 -1.044865 -0.538380
C 6.470891 0.650607 0.568203
C 5.860634 -1.418667 -0.587304
C 6.848895 -0.576189 -0.027902
H -2.276024 2.054636 0.088573
H -2.443205 -2.283819 -0.031806
H 0.214533 1.963595 0.155079
H 0.032427 -2.376178 -0.020283
H 2.058143 -1.303714 0.054702
H -4.198188 1.723889 1.272355
H -4.302309 -1.800394 -1.271965
H -6.686608 1.837813 1.214162
H -6.792413 -1.716509 -1.284642
H -8.006477 0.110978 -0.053299
H 4.798066 1.978024 1.053903
H 3.759749 -1.694027 -1.023816
H 7.234032 1.311280 0.993586
H 6.150345 -2.357603 -1.071518
H 7.904273 -0.867702 -0.066424


