%chk=000161313.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161313

0 1
 N    3.380100      0.7215000      0.7360000    
 N  -0.9994000      0.6960000      -1.074300    
 N   -5.000300      -1.197500      0.5998000    
 C    2.701000      0.1292000     -0.4460000    
 C    3.234900      -1.290200     -0.7532000    
 C    4.749800      -1.309400     -0.9016000    
 C    5.397700     -0.6843000      0.3236000    
 C    4.845900      0.7166000      0.5741000    
 C    1.181700      5.5300001E-02 -0.2851000    
 C    2.941500       2.101400      0.9872000    
 C   0.6187000     -0.6800000      0.7430000    
 C   0.3496000      0.7200000      -1.160900    
 C  -0.7656000     -0.7287000      0.8649000    
 C   -1.523200     -2.9600000E-02 -6.1000001E-02
 C   -2.965500     -3.6499999E-02  2.6000000E-03
 C   -3.708500       1.050300     -0.4450000    
 C   -3.653100      -1.126400      0.5117000    
 C   -5.096600       1.014500     -0.3708000    
 C   -5.688700     -0.1224000      0.1550000    
 H    2.925600      0.7564000      -1.321500    
 H    2.777700      -1.670800      -1.675600    
 H    2.958500      -1.994000      4.2500000E-02
 H    5.040700     -0.7532000      -1.801000    
 H    5.102200      -2.338700      -1.030000    
 H    5.217500      -1.316600       1.202100    
 H    6.483200     -0.6342000      0.1822000    
 H    5.316600       1.105100       1.485700    
 H    5.145100       1.376600     -0.2514000    
 H    3.121200       2.754300      0.1253000    
 H    3.470500       2.520800       1.850900    
 H    1.877300       2.144800       1.240400    
 H    1.232700      -1.209400       1.465500    
 H   0.7388000       1.311000      -1.983500    
 H   -1.197400      -1.287600       1.688100    
 H   -3.235200       1.942600     -0.8469000    
 H   -3.155500      -2.026000      0.8604000    
 H   -5.696100       1.850900     -0.7114000    
 H   -6.768000     -0.1997000      0.2354000    


%chk=000161313-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161313

0 1
N 3.458982 0.617948 0.791053
N -1.010013 0.672021 -1.088369
N -5.121704 -0.922786 1.025780
C 2.749632 0.217478 -0.461511
C 3.244711 -1.178034 -0.943133
C 4.776400 -1.219233 -1.117742
C 5.457355 -0.785943 0.197865
C 4.938557 0.596722 0.628546
C 1.242067 0.167748 -0.252102
C 3.019845 1.943184 1.288085
C 0.668496 -0.500455 0.858687
C 0.344856 0.739978 -1.186294
C -0.731177 -0.574023 0.983581
C -1.559078 0.013096 -0.013980
C -3.047470 -0.029689 0.043574
C -3.818382 0.783932 -0.830921
C -3.760838 -0.869747 0.943365
C -5.224422 0.740101 -0.761835
C -5.835085 -0.118821 0.182203
H 2.964578 0.955496 -1.283027
H 2.728370 -1.425943 -1.889461
H 2.937153 -1.932518 -0.193256
H 5.079455 -0.531815 -1.934589
H 5.098968 -2.234943 -1.414447
H 5.234453 -1.522106 0.994144
H 6.556767 -0.743050 0.078308
H 5.386755 0.887333 1.597217
H 5.266136 1.359086 -0.128462
H 3.236072 2.771050 0.566705
H 3.543812 2.168365 2.233950
H 1.936286 1.940242 1.489770
H 1.326694 -0.926986 1.623389
H 0.731830 1.283400 -2.058403
H -1.174100 -1.067452 1.853400
H -3.289669 1.424560 -1.542576
H -3.234188 -1.548060 1.624438
H -5.841108 1.358527 -1.421848
H -6.925594 -0.176562 0.275094


