%chk=000093779.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093779

0 1
 N   -1.468400      0.8216000      0.4111000    
 N    1.916300     -0.2435000     -0.4879000    
 N    3.362500      -2.501500      0.4695000    
 C    1.124700      0.8701000     -0.9749000    
 C  -0.1560000      0.3574000      -1.636500    
 C   0.7851000       1.819100      0.1762000    
 C   -1.163800     -0.1826000     -0.6166000    
 C  -0.2551000       1.227100       1.132700    
 C   -2.472400      0.3107000       1.344300    
 C   -3.760800     -3.6800001E-02  0.6472000    
 C    3.272600     -0.1621000     -0.2312000    
 C    4.011100      -1.266900      0.2423000    
 C    3.961700       1.049500     -0.4429000    
 C   -4.747600      0.9300000      0.5131000    
 C   -3.943600      -1.318900      0.1479000    
 C    5.379500      -1.163400      0.4926000    
 C    5.330000       1.152800     -0.1927000    
 C   -5.941200      0.6083000     -0.1328000    
 C   -5.137300      -1.640500     -0.4981000    
 C    6.038800      4.6399999E-02  0.2751000    
 C   -6.136000     -0.6768000     -0.6385000    
 H    1.670400       1.408000      -1.759100    
 H   7.8500003E-02 -0.4266000      -2.367100    
 H  -0.6228000       1.180600      -2.194100    
 H   0.3822000       2.750000     -0.2453000    
 H    1.671900       2.102100      0.7531000    
 H   -2.043300     -0.4256000      -1.218500    
 H  -0.7930000      -1.113700     -0.1701000    
 H   0.1793000      0.3797000       1.679000    
 H  -0.5063000       1.994800       1.874800    
 H   -2.687500       1.066500       2.112000    
 H   -2.101100     -0.5677000       1.890800    
 H    1.434700      -1.100000     -0.2479000    
 H    3.469700       1.946300     -0.8062000    
 H   -4.605600       1.934700      0.9012000    
 H   -3.182200      -2.085200      0.2633000    
 H    5.944200      -2.017600      0.8575000    
 H    5.844400       2.094300     -0.3618000    
 H   -6.718800       1.358700     -0.2425000    
 H   -5.290700      -2.642100     -0.8888000    
 H    7.104200      0.1269000      0.4700000    
 H   -7.065600     -0.9276000      -1.140900    
 H    3.899200      -3.290500      0.8060000    
 H    2.379600      -2.622700      0.2757000    


%chk=000093779-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093779

0 1
N -1.450616 0.552602 0.419058
N 2.038641 -0.162588 -0.630647
N 3.456031 -2.417476 0.025204
C 1.141330 0.955836 -0.975617
C -0.124406 0.416221 -1.686455
C 0.702831 1.803738 0.257738
C -1.071642 -0.320880 -0.716898
C -0.256507 1.016642 1.170536
C -2.460477 -0.075010 1.303930
C -3.826963 -0.232015 0.642167
C 3.391731 0.010785 -0.278142
C 4.136325 -1.169202 0.070279
C 4.060843 1.262025 -0.277545
C -4.340604 0.785862 -0.201370
C -4.623394 -1.375259 0.897141
C 5.485199 -1.056011 0.472159
C 5.420120 1.357310 0.105611
C -5.625550 0.663211 -0.774347
C -5.912806 -1.499107 0.328991
C 6.129980 0.204580 0.504030
C -6.418453 -0.479173 -0.509253
H 1.689636 1.607621 -1.682515
H 0.172407 -0.259142 -2.510507
H -0.674476 1.270759 -2.122621
H 0.189098 2.716496 -0.101284
H 1.589392 2.116535 0.839471
H -1.990044 -0.621105 -1.251804
H -0.593426 -1.271251 -0.349461
H 0.295060 0.154609 1.632458
H -0.596860 1.663605 2.000646
H -2.562897 0.581150 2.192270
H -2.120598 -1.072830 1.686116
H 1.592715 -0.980142 -0.201734
H 3.519976 2.171857 -0.556706
H -3.711200 1.659787 -0.404302
H -4.233083 -2.173663 1.541436
H 6.040924 -1.964168 0.740259
H 5.912719 2.336034 0.103851
H -6.010558 1.456664 -1.425593
H -6.517426 -2.389881 0.535219
H 7.176933 0.275240 0.817777
H -7.416252 -0.573865 -0.952741
H 3.970650 -3.232864 0.358089
H 2.867196 -2.590237 -0.793896


