%chk=000086367.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086367

0 1
 N   0.6674000      0.2536000      0.2148000    
 N    1.274500      -2.041200     -0.2012000    
 N  -0.9744000      -1.371700     -0.1948000    
 C    2.345700       1.953100      0.6431000    
 C    3.309600       2.663400     -0.2538000    
 C    1.856800       3.039100     -0.2627000    
 C    1.980000      0.5385000      0.3442000    
 C    2.984100     -0.3991000      0.2164000    
 C    2.568200      -1.685800     -5.9099998E-02
 C   0.3864000      -1.037300     -5.4200001E-02
 C    3.581700      -2.769400     -0.2160000    
 C   -2.158700     -0.6103000     -0.1114000    
 C   -3.342800      -1.207000      0.3218000    
 C   -2.145900      0.7396000     -0.4626000    
 C   -4.514100     -0.4540000      0.4037000    
 C   -3.317200       1.492700     -0.3806000    
 C   -4.501300      0.8958000      5.2499998E-02
 H    2.402200       2.209600       1.698400    
 H    3.697000       2.163100      -1.133300    
 H    4.006200       3.357000      0.2021000    
 H    1.578100       3.984700      0.1867000    
 H    1.278600       2.778700      -1.141200    
 H    4.032000     -0.1481000      0.3288000    
 H    4.260000      -2.539300      -1.043800    
 H    4.164600      -2.881800      0.7037000    
 H    3.101200      -3.729700     -0.4304000    
 H   -1.125000      -2.374000     -0.2601000    
 H   -3.365900      -2.257800      0.5990000    
 H   -1.259600       1.234000     -0.8460000    
 H   -5.436200     -0.9187000      0.7404000    
 H   -3.310200       2.541400     -0.6635000    
 H   -5.413800       1.481500      0.1140000    


%chk=000086367-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086367

0 1
N 0.539276 0.458615 -0.046429
N 1.140160 -1.916384 -0.175306
N -1.077581 -1.311265 0.020152
C 2.170305 2.243670 -0.110761
C 3.451932 2.780406 0.570925
C 3.332935 2.833351 -0.947716
C 1.870553 0.785985 -0.138692
C 2.866571 -0.215533 -0.250769
C 2.456019 -1.574973 -0.266574
C 0.236593 -0.874853 -0.068154
C 3.453635 -2.704996 -0.387152
C -2.302235 -0.611906 0.147509
C -3.487067 -1.400281 0.212341
C -2.404337 0.804645 0.214082
C -4.747913 -0.786244 0.341227
C -3.676106 1.403196 0.343054
C -4.853699 0.623369 0.407785
H 1.270864 2.857628 -0.018465
H 4.127722 2.046141 1.018695
H 3.360081 3.712000 1.136161
H 3.160806 3.799868 -1.428606
H 3.923326 2.128507 -1.540716
H 3.927395 0.039085 -0.323350
H 3.998545 -2.650080 -1.348081
H 4.207410 -2.657630 0.420246
H 2.930931 -3.672046 -0.332218
H -1.134358 -2.333135 -0.011038
H -3.415507 -2.494773 0.161790
H -1.491581 1.399976 0.163390
H -5.648006 -1.409429 0.389581
H -3.743594 2.496241 0.393595
H -5.833876 1.101446 0.508396


