%chk=000051971.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051971

0 1
 N  -0.7105000      1.1000000E-03   1.142500    
 N    3.121800     -1.6000000E-03 -0.5552000    
 C   0.5891000      3.0000001E-04  0.5667000    
 C    1.223800       1.214500      0.2859000    
 C    1.222000      -1.214900      0.2860000    
 C    2.507700       1.166000     -0.2829000    
 C    2.506000      -1.168300     -0.2827000    
 C   -1.992300      1.1000000E-03  0.5771000    
 C   0.6113000       2.450300      0.5577000    
 C   0.6077000      -2.449800      0.5580000    
 C    3.144800       2.371500     -0.5648000    
 C    3.141400      -2.374800     -0.5645000    
 C    1.269700       3.641200      0.2665000    
 C    1.264400      -3.641800      0.2667000    
 C   -3.126600      1.0000000E-03   1.397000    
 C   -2.151500      1.6000000E-03 -0.8135000    
 C    2.539100       3.601400     -0.2959000    
 C    2.533800      -3.603700     -0.2957000    
 C   -4.553400      1.5000000E-03 -0.5524000    
 C   -4.402800      1.0000000E-03  0.8341000    
 C   -3.427800      1.8000000E-03  -1.376300    
 C   -5.917900      6.9999998E-04  -1.154300    
 H  -0.6893000       0.000000       2.158100    
 H  -0.3785000       2.517600       1.001600    
 H  -0.3821000      -2.515800       1.001900    
 H    4.140100       2.366800      -1.005600    
 H    4.136700      -2.371400      -1.005400    
 H   0.7950000       4.594400      0.4785000    
 H   0.7883000      -4.594300      0.4787000    
 H   -3.025000      1.9999999E-04   2.479600    
 H   -1.292700      1.3000000E-03  -1.479800    
 H    3.061800       4.525000     -0.5268000    
 H    3.055200      -4.528000     -0.5266000    
 H   -5.272000     -1.2000001E-03   1.486400    
 H   -3.532400      1.9999999E-04  -2.458100    
 H   -6.635400      0.5173000     -0.5077000    
 H   -5.924700      0.5199000      -2.118700    
 H   -6.260400      -1.027600      -1.307200    


%chk=000051971-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051971

0 1
N -0.724092 0.002367 1.331152
N 3.131439 -0.002825 -0.626254
C 0.541884 0.000606 0.654250
C 1.185340 1.230001 0.326926
C 1.181004 -1.230466 0.324770
C 2.498513 1.173173 -0.318343
C 2.494337 -1.177117 -0.320475
C -1.979469 0.004807 0.686308
C 0.600680 2.514441 0.605317
C 0.591811 -2.513341 0.600791
C 3.165356 2.407000 -0.642275
C 3.156771 -2.412703 -0.646747
C 1.276014 3.685335 0.272364
C 1.262957 -3.686011 0.265609
C -3.171664 0.009494 1.463976
C -2.092949 0.007128 -0.731703
C 2.570423 3.631658 -0.353776
C 2.557499 -3.635780 -0.360533
C -4.562743 0.012550 -0.577431
C -4.433565 0.014471 0.835727
C -3.365916 0.012167 -1.338937
C -5.927591 -0.015576 -1.246392
H -0.715736 0.001387 2.351884
H -0.388646 2.547870 1.072527
H -0.397574 -2.544137 1.068070
H 4.147131 2.336833 -1.120337
H 4.138769 -2.345125 -1.124725
H 0.820099 4.658830 0.484396
H 0.803606 -4.658280 0.475863
H -3.106912 0.014004 2.560032
H -1.189947 0.009478 -1.351166
H 3.086459 4.564677 -0.606518
H 3.070196 -4.570150 -0.615071
H -5.337299 0.021218 1.458506
H -3.428532 0.016981 -2.434627
H -6.692342 0.487203 -0.627153
H -5.905974 0.486344 -2.230528
H -6.274940 -1.054017 -1.416574


