%chk=000131676.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131676

0 1
 N    2.675600      -1.359600     -0.6519000    
 N   -2.675000      -1.360000      0.6513000    
 N   0.6601000      -2.479100     -0.1619000    
 N  -0.6596000      -2.479300      0.1593000    
 C   0.6801000     -6.5899998E-02 -0.1665000    
 C  -0.6801000     -6.5899998E-02  0.1645000    
 C    1.301700      -1.300900     -0.3179000    
 C   -1.301500      -1.301100      0.3156000    
 C   0.6870000       2.379900     -0.1676000    
 C  -0.6870000       2.379800      0.1668000    
 C    1.356100       1.155300     -0.3308000    
 C   -1.356200       1.155100      0.3293000    
 C    3.476500      -2.519200     -0.4241000    
 C   -3.476200      -2.519500      0.4236000    
 C    4.961400      -2.169000     -0.4700000    
 C   -4.961000      -2.169500      0.4715000    
 C    5.365600      -1.168700      0.6160000    
 C   -5.366600      -1.168200     -0.6131000    
 C    1.354100       3.605300     -0.3295000    
 C   -1.354000       3.605100      0.3294000    
 C   0.6760000       4.813200     -0.1640000    
 C  -0.6759000       4.813000      0.1649000    
 C    6.860500     -0.8906000      0.5862000    
 C   -6.861500     -0.8902000     -0.5812000    
 H    2.415500       1.180600     -0.5788000    
 H   -2.415500       1.180300      0.5774000    
 H    3.259500      -3.276700      -1.186000    
 H    3.250900      -2.962300      0.5538000    
 H   -3.258200      -3.277600       1.184500    
 H   -3.251700      -2.961700     -0.5551000    
 H    5.213900      -1.757700      -1.455400    
 H    5.542900      -3.091300     -0.3505000    
 H   -5.212400      -1.759100       1.457700    
 H   -5.542600      -3.091700      0.3519000    
 H    3.005100     -0.6802000      -1.329000    
 H   -3.003700     -0.6809000       1.329300    
 H    4.828900     -0.2224000      0.4839000    
 H    5.093700      -1.561500       1.602700    
 H   -4.829800     -0.2220000     -0.4808000    
 H   -5.095800      -1.560200      -1.600400    
 H    2.411100       3.630100     -0.5866000    
 H   -2.411000       3.629600      0.5866000    
 H    1.204000       5.753600     -0.2921000    
 H   -1.203900       5.753300      0.2936000    
 H    7.433900      -1.807900      0.7540000    
 H    7.128400     -0.1747000       1.369500    
 H    7.161400     -0.4681000     -0.3779000    
 H   -7.130400     -0.1737000      -1.363600    
 H   -7.435100      -1.807400     -0.7491000    
 H   -7.161300     -0.4686000      0.3835000    


%chk=000131676-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131676

0 1
N 2.722937 -1.096325 -0.516508
N -2.723036 -1.096223 0.517504
N 0.681465 -2.177353 -0.160301
N -0.681581 -2.177324 0.161420
C 0.717495 0.301676 -0.111290
C -0.717570 0.301701 0.112135
C 1.357919 -1.007549 -0.265463
C -1.358017 -1.007496 0.266449
C 0.722276 2.774159 -0.084170
C -0.722304 2.774181 0.084763
C 1.403611 1.529810 -0.181240
C -1.403663 1.529856 0.181960
C 3.395023 -2.396086 -0.686721
C -3.395138 -2.395954 0.687881
C 4.927435 -2.228085 -0.669388
C -4.927548 -2.227938 0.670533
C 5.493266 -1.753721 0.689947
C -5.493385 -1.753755 -0.688862
C 1.413499 4.033428 -0.157297
C -1.413502 4.033471 0.157767
C 0.714071 5.235846 -0.078215
C -0.714051 5.235867 0.078567
C 7.027254 -1.582107 0.668060
C -7.027374 -1.582140 -0.666990
H 2.493771 1.553073 -0.299015
H -2.493822 1.553152 0.299735
H 3.065686 -2.882341 -1.629985
H 3.058195 -3.060049 0.129405
H -3.065804 -2.882094 1.631205
H -3.058320 -3.060023 -0.128162
H 5.237890 -1.519707 -1.468963
H 5.382821 -3.202947 -0.933592
H -5.237992 -1.519449 1.470014
H -5.382942 -3.202760 0.934871
H 3.199905 -0.280282 -0.899326
H -3.199999 -0.280123 0.900205
H 5.010813 -0.799634 0.979549
H 5.209730 -2.488106 1.470162
H -5.010936 -0.799705 -0.978597
H -5.209853 -2.488243 -1.468981
H 2.503279 4.032959 -0.279559
H -2.503282 4.033036 0.280030
H 1.248771 6.190069 -0.136427
H -1.248732 6.190107 0.136685
H 7.529512 -2.533032 0.407146
H 7.411755 -1.256658 1.652029
H 7.333831 -0.826797 -0.080845
H -7.411881 -1.256822 -1.650999
H -7.529628 -2.533031 -0.405946
H -7.333948 -0.826731 0.081817


