%chk=000103989.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103989

0 1
 N    4.364000      0.4060000      -1.303700    
 N   -5.072200      -1.028100      -1.276500    
 C   0.7596000      0.8510000      0.7609000    
 C  -0.5490000       1.019000       1.506600    
 C    2.707700     -0.4527000      0.2694000    
 C    1.503300     -0.2985000      0.9560000    
 C   -1.734200      0.4827000      0.7773000    
 C    3.506800      -1.696900      0.4846000    
 C    3.147400      0.5449000     -0.6005000    
 C    1.178200       1.851500     -9.7099997E-02
 C    2.382600       1.697000     -0.7838000    
 C   -2.125900     -0.8431000      0.9632000    
 C   -2.450700       1.306600     -9.0899996E-02
 C    3.126500      -2.778100     -0.4861000    
 C   -3.234400      -1.344900      0.2809000    
 C   -3.559000      0.8047000     -0.7730000    
 C   -3.950900     -0.5210000     -0.5872000    
 H  -0.7024000       2.082200       1.739600    
 H  -0.4702000      0.5433000       2.494300    
 H    1.155400      -1.073700       1.633600    
 H    4.583900      -1.500600      0.4495000    
 H    3.335200      -2.062200       1.506200    
 H   0.5904000       2.752300     -0.2460000    
 H    2.713500       2.482500      -1.458600    
 H   -1.577300      -1.496000       1.636900    
 H   -2.157000       2.341600     -0.2446000    
 H    2.066100      -3.041100     -0.4028000    
 H    3.709700      -3.684700     -0.2942000    
 H    3.312500      -2.475900      -1.522400    
 H   -3.529800      -2.379600      0.4343000    
 H   -4.109200       1.456700      -1.446500    
 H    4.894500     -0.4525000      -1.279200    
 H    4.655600       1.140900      -1.935500    
 H   -5.591200     -0.4315000      -1.906800    
 H   -5.356000      -1.989600      -1.143100    


%chk=000103989-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103989

0 1
N 4.677432 0.422634 -0.760953
N -5.007342 -1.683448 -0.869123
C 0.760171 1.113449 0.799359
C -0.621667 1.365723 1.402224
C 2.548709 -0.471289 0.113855
C 1.261795 -0.201556 0.628268
C -1.758776 0.539515 0.802876
C 3.013362 -1.907458 -0.089199
C 3.389713 0.632747 -0.247490
C 1.605299 2.187593 0.430273
C 2.898057 1.956590 -0.082085
C -2.663638 -0.173498 1.627482
C -1.968579 0.481729 -0.599911
C 2.914001 -2.373585 -1.569387
C -3.738820 -0.910698 1.087894
C -3.036286 -0.246268 -1.157915
C -3.944703 -0.956988 -0.319636
H -0.850977 2.446094 1.296884
H -0.590069 1.170235 2.494045
H 0.618781 -1.050526 0.896249
H 4.056632 -2.039283 0.269766
H 2.395598 -2.580158 0.534099
H 1.250727 3.220078 0.545339
H 3.535101 2.806046 -0.361062
H -2.526834 -0.153307 2.716613
H -1.274381 1.011054 -1.264319
H 1.862700 -2.348306 -1.906639
H 3.290542 -3.406780 -1.688883
H 3.491845 -1.714629 -2.243395
H -4.420877 -1.453664 1.754635
H -3.172887 -0.270511 -2.246789
H 5.057795 -0.512043 -0.862580
H 5.280101 1.212798 -0.969159
H -5.152749 -1.712403 -1.873445
H -5.656276 -2.187689 -0.273093


