%chk=000002326.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002326

0 1
 O   5.0400000E-02   1.345900      0.6297000    
 N    2.728400      0.4572000      0.1818000    
 C    2.814400      0.6848000      -1.267600    
 C    3.970400     -0.1321000      0.7016000    
 C    2.424200       1.706800      0.8786000    
 C    3.083600     -0.6214000      -2.016100    
 C    4.277300      -1.465200      1.7500000E-02
 C    4.341600      -1.308900      -1.497500    
 C    1.100300       2.265700      0.3561000    
 C    2.384200       1.469500       2.388500    
 C   -1.199700       1.685700      0.1835000    
 C   -1.874000      0.8683000     -0.7174000    
 C   -1.257000     -0.3951000      -1.220300    
 C   -1.783600       2.860800      0.6456000    
 C   -3.146000       1.229500      -1.161200    
 C   -1.569500      -1.610200     -0.3715000    
 C   -3.055800       3.222100      0.2021000    
 C   -3.737000       2.406500     -0.7014000    
 C   -2.691800      -2.365100     -0.6622000    
 C  -0.7258000      -1.936700      0.6750000    
 C   -2.979900      -3.483800      0.1196000    
 C   -1.013900      -3.055400       1.456700    
 C   -2.140900      -3.828900       1.179000    
 H    3.598300       1.415600      -1.506300    
 H    1.877800       1.053000      -1.691700    
 H    3.895000     -0.3711000       1.766700    
 H    4.817500      0.5542000      0.5717000    
 H    3.203000       2.456100      0.6794000    
 H    3.189400     -0.4200000      -3.088300    
 H    2.225800      -1.296300      -1.900600    
 H    3.502500      -2.198400      0.2760000    
 H    5.229300      -1.862100      0.3879000    
 H    4.458000      -2.289100      -1.972500    
 H    5.222100     -0.7127000      -1.767000    
 H   0.9090000       3.197200      0.9051000    
 H    1.114100       2.553700     -0.6998000    
 H    3.385100       1.370300       2.821200    
 H    1.793700      0.5849000       2.653400    
 H    1.923200       2.326200       2.894200    
 H  -0.1697000     -0.2846000      -1.315700    
 H   -1.584400     -0.5819000      -2.253000    
 H   -1.277800       3.499700       1.363500    
 H   -3.689200      0.6049000      -1.865400    
 H   -3.517900       4.136100      0.5634000    
 H   -4.727900       2.687300      -1.046000    
 H   -3.350800      -2.105300      -1.485400    
 H   0.1590000      -1.348900      0.8973000    
 H   -3.857300      -4.086200     -9.6799999E-02
 H  -0.3595000      -3.325400       2.280500    
 H   -2.364900      -4.700300       1.787400    


%chk=000002326-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000002326

0 1
O -0.020650 1.080126 0.134315
N 2.799292 0.252367 0.189852
C 2.844552 0.865257 -1.164873
C 4.158416 -0.196511 0.601492
C 2.162357 1.094044 1.252137
C 3.381476 -0.138617 -2.207180
C 4.739227 -1.231231 -0.382943
C 4.781574 -0.658702 -1.816334
C 0.988027 1.954498 0.750439
C 1.693758 0.225505 2.443741
C -1.221500 1.659373 -0.309990
C -2.068868 0.788325 -1.057741
C -1.632475 -0.642062 -1.354885
C -1.592886 3.001767 -0.058510
C -3.297267 1.303628 -1.526655
C -1.738090 -1.603175 -0.166501
C -2.832950 3.484958 -0.536853
C -3.691437 2.639008 -1.269497
C -3.005419 -1.967245 0.356649
C -0.573888 -2.163565 0.415837
C -3.109982 -2.879102 1.430662
C -0.675435 -3.078134 1.489816
C -1.943181 -3.442137 1.999474
H 3.491248 1.784595 -1.179959
H 1.823024 1.162006 -1.453458
H 4.102661 -0.641327 1.609983
H 4.859926 0.679858 0.666180
H 2.904373 1.848784 1.635588
H 3.406338 0.349278 -3.200858
H 2.675774 -0.990217 -2.269400
H 4.102881 -2.137280 -0.364084
H 5.752362 -1.525875 -0.046834
H 5.128212 -1.425991 -2.534201
H 5.510544 0.177530 -1.857899
H 0.553805 2.477937 1.626395
H 1.312413 2.716385 0.013178
H 2.511298 -0.394175 2.848481
H 0.875073 -0.439081 2.124859
H 1.328381 0.869034 3.266126
H -0.583361 -0.634568 -1.702972
H -2.254992 -1.024968 -2.186475
H -0.935039 3.672674 0.501699
H -3.950894 0.647294 -2.114572
H -3.119364 4.523560 -0.336567
H -4.649713 3.012982 -1.644978
H -3.914175 -1.531142 -0.077216
H 0.412317 -1.860716 0.042036
H -4.097093 -3.151902 1.822017
H 0.234563 -3.503847 1.929090
H -2.021912 -4.152302 2.830687


