%chk=000116920.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116920

0 1
 N    2.497200     -0.4516000     -0.7572000    
 N   -3.093400     -0.3057000     -0.6933000    
 N    2.928400     -0.6742000      0.3968000    
 N   -3.509300     -0.5067000      0.4703000    
 C   0.4447000      0.8660000     -0.5210000    
 C  -0.9699000      0.9028000     -0.5046000    
 C    1.097300     -0.3597000     -0.7315000    
 C   -1.690300     -0.2870000     -0.6994000    
 C    1.164900       2.055900     -0.3265000    
 C   -1.622700       2.128300     -0.2943000    
 C   0.3658000      -1.532300     -0.9228000    
 C   -1.025500      -1.496000     -0.9071000    
 C   0.4999000       3.264600     -0.1186000    
 C  -0.8913000       3.300800     -0.1025000    
 C    4.330600     -0.7666000      0.3715000    
 C    6.493200      0.2846000      0.5326000    
 C    5.101600      0.3765000      0.5578000    
 C    4.937300      -2.000800      0.1604000    
 C    7.106900     -0.9502000      0.3213000    
 C    6.328900      -2.092900      0.1352000    
 C    7.325400       1.506100      0.7315000    
 C   -4.914600     -0.5253000      0.4769000    
 C   -5.589900      -1.725500      0.2797000    
 C   -5.619400      0.6567000      0.6807000    
 C   -6.984800      -1.744000      0.2863000    
 C   -7.014300      0.6383000      0.6874000    
 C   -7.696800     -0.5621000      0.4902000    
 H    2.252000       2.072300     -0.3373000    
 H   -2.707300       2.201200     -0.2801000    
 H   0.8720000      -2.480200      -1.086900    
 H   -1.584100      -2.416100      -1.059100    
 H    1.068600       4.178100      2.9200001E-02
 H   -1.408200       4.242500      5.7799999E-02
 H    4.620300       1.337600      0.7220000    
 H    4.338700      -2.896100      1.5200000E-02
 H    8.190100      -1.034600      0.2976000    
 H    6.806600      -3.054300     -2.9600000E-02
 H    7.510100       1.995300     -0.2300000    
 H    6.827400       2.218200       1.398300    
 H    8.288900       1.258500       1.189800    
 H   -5.042800      -2.651000      0.1210000    
 H   -5.096200       1.596200      0.8367000    
 H   -7.516300      -2.678700      0.1330000    
 H   -7.568800       1.558500      0.8464000    
 H   -8.782800     -0.5765000      0.4955000    


%chk=000116920-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116920

0 1
N 2.531857 0.427745 -0.441502
N -3.154496 0.147920 -0.108125
N 3.225971 -0.120707 0.529520
N -3.676492 -0.361943 0.984169
C 0.322357 0.876340 -1.368786
C -1.122891 0.807459 -1.283285
C 1.118772 0.321696 -0.293736
C -1.730862 0.189309 -0.123121
C 0.923316 1.491576 -2.515492
C -1.909796 1.355096 -2.348762
C 0.485003 -0.275271 0.823066
C -0.916141 -0.339897 0.907176
C 0.130441 2.017151 -3.537297
C -1.295731 1.947944 -3.453557
C 4.643199 -0.003244 0.391226
C 6.808805 -0.568581 1.436087
C 5.395820 -0.604982 1.436270
C 5.311575 0.649983 -0.683615
C 7.460569 0.083243 0.355152
C 6.717101 0.685941 -0.690346
C 7.611359 -1.191114 2.565444
C -5.104222 -0.424422 0.990788
C -5.949432 -0.017202 -0.082962
C -5.676423 -0.944707 2.183588
C -7.344771 -0.133533 0.049345
C -7.076477 -1.056525 2.308063
C -7.914308 -0.651585 1.241959
H 2.014121 1.534723 -2.561497
H -2.997646 1.293633 -2.267184
H 1.119436 -0.682893 1.615546
H -1.411232 -0.800119 1.767306
H 0.600090 2.485646 -4.409274
H -1.906889 2.363298 -4.262504
H 4.843713 -1.099388 2.243553
H 4.717828 1.107316 -1.480075
H 8.556828 0.119068 0.330993
H 7.245898 1.181793 -1.512263
H 7.993723 -0.414470 3.255418
H 6.998816 -1.890048 3.160155
H 8.486344 -1.745482 2.180922
H -5.490685 0.378546 -0.993865
H -5.001508 -1.250145 2.989967
H -7.998361 0.177052 -0.773611
H -7.513888 -1.457011 3.228842
H -9.002592 -0.738307 1.335603


