%chk=000021802.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021802

0 1
 N   -3.726900      0.9584000      0.3014000    
 N    2.489900      -1.932700      1.4800000E-02
 C   -1.546200     -0.1033000     -0.2290000    
 C   -2.090700      -1.462700      0.2232000    
 C   -2.688300      0.7981000     -0.7274000    
 C   -3.223400      -1.277400       1.227200    
 C  -0.4840000     -0.2811000      -1.312400    
 C   -4.300500     -0.3388000      0.6836000    
 C   0.8393000     -0.6921000     -0.7281000    
 C   -4.776300       1.863400     -0.1673000    
 C    1.855500      0.1828000     -0.3010000    
 C    1.235400      -1.978800     -0.5316000    
 C    2.893900     -0.6254000      0.1668000    
 C    2.013200       1.582200     -0.2581000    
 C    4.087000     -0.1018000      0.6775000    
 C    3.201200       2.120100      0.2502000    
 C    4.220900       1.289200      0.7103000    
 H   -1.095000      0.3920000      0.6435000    
 H   -1.306500      -2.067500      0.6898000    
 H   -2.464100      -2.028000     -0.6402000    
 H   -2.271600       1.782700     -0.9753000    
 H   -3.117100      0.3851000      -1.650700    
 H   -3.667600      -2.250300       1.466200    
 H   -2.819900     -0.8719000       2.163800    
 H  -0.3408000      0.6604000      -1.858300    
 H  -0.8072000      -1.014700      -2.062200    
 H   -4.803800     -0.8110000     -0.1705000    
 H   -5.054600     -0.1950000       1.467000    
 H   -5.285800       1.480700      -1.059000    
 H   -4.357900       2.847800     -0.4047000    
 H   -5.525300       2.022600      0.6163000    
 H   0.7549000      -2.927500     -0.7261000    
 H    3.040600      -2.741000      0.2695000    
 H    1.228000       2.244700     -0.6110000    
 H    4.881400     -0.7479000       1.036000    
 H    3.328300       3.198800      0.2862000    
 H    5.135100       1.728400       1.101200    


%chk=000021802-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021802

0 1
N -3.819508 0.990901 0.120414
N 2.644070 -2.028015 -0.441983
C -1.538614 0.054786 -0.329179
C -1.910375 -1.205886 0.485221
C -2.818337 0.682344 -0.927168
C -2.991271 -0.878291 1.539669
C -0.509072 -0.251485 -1.456422
C -4.217306 -0.220160 0.876800
C 0.838059 -0.711745 -0.954316
C -4.982378 1.719550 -0.419658
C 1.837750 0.102857 -0.278321
C 1.369978 -1.998312 -1.034832
C 2.958591 -0.748945 0.030926
C 1.899486 1.474497 0.087791
C 4.115171 -0.272207 0.687112
C 3.050346 1.957178 0.740403
C 4.145990 1.092779 1.038644
H -1.098483 0.797129 0.367085
H -1.008427 -1.626372 0.967242
H -2.298087 -1.981100 -0.211605
H -2.565253 1.625785 -1.449571
H -3.237506 -0.021288 -1.700010
H -3.307852 -1.796970 2.070763
H -2.576427 -0.180747 2.292541
H -0.381193 0.664286 -2.071095
H -0.938903 -1.021262 -2.128911
H -4.718024 -0.970638 0.205378
H -4.956208 0.077477 1.644939
H -5.570302 1.127270 -1.168237
H -4.644833 2.649411 -0.912419
H -5.664348 1.997519 0.404317
H 0.934622 -2.895555 -1.471957
H 3.245827 -2.845524 -0.378667
H 1.065594 2.149357 -0.136178
H 4.960519 -0.931066 0.916448
H 3.110821 3.013010 1.027283
H 5.026983 1.497932 1.549154


