%chk=000160052.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160052

1 1
 N   -4.796100     -1.9300001E-02  7.6800004E-02
 N    3.984900      0.2788000     -0.1898000    
 C   -3.563000      0.7956000     -1.8500000E-02
 C   -2.327300     -9.6299998E-02 -4.1900001E-02
 C  -0.9798000      0.6283000     -0.1364000    
 C   -4.758000     -0.9286000       1.314400    
 C   -6.038400      0.8774000      0.1848000    
 C   -4.960900     -0.9115000      -1.162500    
 C   0.2241000     -0.3148000     -8.8100001E-02
 C    1.540600      0.4615000     -0.1786000    
 C    2.742400     -0.4781000     -9.3500003E-02
 C    5.138600     -0.6078000     -0.1343000    
 C    6.424500      0.1528000     -0.2402000    
 C    7.368400      0.1618000      0.7078000    
 H   -3.531000       1.469900      0.8458000    
 H   -3.621800       1.406200     -0.9273000    
 H   -2.274800     -0.7022000      0.8683000    
 H   -2.363600     -0.7904000     -0.8873000    
 H  -0.9527000       1.208200      -1.067300    
 H  -0.9071000       1.349300      0.6874000    
 H   -4.050300      -1.745800       1.154900    
 H   -4.484700     -0.3209000       2.181900    
 H   -5.757300      -1.353800       1.453100    
 H   -6.927700      0.2431000      0.2443000    
 H   -5.939900       1.487000       1.087800    
 H   -6.077000       1.511400     -0.7057000    
 H   -5.955800      -1.366600      -1.123200    
 H   -4.867900     -0.2842000      -2.053700    
 H   -4.209200      -1.703800      -1.154100    
 H   0.1613000      -1.033200     -0.9141000    
 H   0.1995000     -0.8907000      0.8449000    
 H    1.586800       1.197300      0.6344000    
 H    1.570800       1.020600      -1.122400    
 H    2.684000      -1.207700     -0.9103000    
 H    2.706600      -1.030200      0.8538000    
 H    4.029200      0.9464000      0.5804000    
 H    5.120200      -1.193700      0.7933000    
 H    5.103800      -1.318700     -0.9689000    
 H    6.596900      0.7235000      -1.149500    
 H    8.281100      0.7310000      0.5684000    
 H    7.250200     -0.3921000       1.632500    


%chk=000160052-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160052

1 1
N -4.932844 -0.017101 0.023031
N 4.046739 0.236569 -0.025578
C -3.512462 0.625823 0.015081
C -2.325726 -0.347503 0.042790
C -0.994676 0.453702 0.029202
C -5.143762 -0.842401 1.290037
C -5.962639 1.113174 -0.010004
C -5.130360 -0.903350 -1.204323
C 0.246591 -0.467426 0.052170
C 1.568927 0.330992 0.019951
C 2.817077 -0.575474 0.026549
C 5.308730 -0.529468 -0.175148
C 6.484871 0.410743 -0.333378
C 7.607728 0.373961 0.426351
H -3.485890 1.293536 0.895316
H -3.477204 1.252087 -0.894855
H -2.344281 -0.978650 0.951369
H -2.337060 -1.019459 -0.836108
H -0.954477 1.094866 -0.874764
H -0.960228 1.134221 0.904364
H -4.448444 -1.693068 1.295613
H -4.961020 -0.204447 2.168287
H -6.180699 -1.212229 1.305897
H -6.975408 0.681775 -0.004144
H -5.824197 1.752208 0.875249
H -5.815440 1.707027 -0.924804
H -6.168077 -1.271131 -1.214888
H -4.934665 -0.310179 -2.110687
H -4.437448 -1.754671 -1.158318
H 0.212942 -1.154437 -0.818549
H 0.219089 -1.105135 0.959811
H 1.608088 1.013863 0.894876
H 1.611337 0.969905 -0.883130
H 2.802414 -1.225380 -0.871870
H 2.772235 -1.260460 0.913523
H 4.107264 0.898806 0.760483
H 5.502528 -1.235574 0.669018
H 5.209139 -1.147323 -1.092200
H 6.379341 1.160186 -1.130737
H 8.436962 1.069917 0.258432
H 7.734603 -0.358799 1.233485


