%chk=000018331.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018331

0 1
 N   0.4283000      0.7203000      0.1655000    
 N   -4.779600      -1.356800     -2.8999999E-02
 C   0.6111000       2.144600      2.5000000E-02
 C  -0.9005000      0.1925000      0.1159000    
 C    1.616500     -7.1500003E-02  0.1016000    
 C  -0.5726000       2.892100      0.6251000    
 C   0.8138000       2.515900      -1.438800    
 C   -1.533300     -0.1604000       1.296000    
 C   -1.525000      4.4700000E-02  -1.111300    
 C    1.601500      -1.262300     -0.6066000    
 C    2.759800      0.3675000      0.7497000    
 C   -2.828300     -0.6764000       1.247700    
 C   -2.820100     -0.4713000      -1.159500    
 C   -3.471700     -0.8317000      2.0099999E-02
 C    2.761000      -2.035200     -0.6682000    
 C    3.919400     -0.4054000      0.6878000    
 C    3.919800      -1.606800     -2.1100000E-02
 H    1.478400       2.518400      0.5760000    
 H  -0.7363000       2.618000       1.673300    
 H  -0.3751000       3.971000      0.6086000    
 H   -1.506200       2.745300      7.1699999E-02
 H    1.634900       1.952300      -1.894000    
 H    1.060100       3.580400      -1.526700    
 H  -8.3800003E-02   2.348300      -2.040700    
 H   -1.038200     -4.3900002E-02   2.256000    
 H   -1.027100      0.2996000      -2.041200    
 H   0.7207000      -1.622900      -1.127300    
 H    2.796700       1.264900       1.356900    
 H   -3.324900     -0.9545000       2.173800    
 H   -3.309000     -0.5926000      -2.122700    
 H    2.762200      -2.970200      -1.221000    
 H    4.818800     -7.8599997E-02   1.201500    
 H    4.822000      -2.209800     -6.7000002E-02
 H   -5.254600      -1.613200      0.8263000    
 H   -5.248800      -1.464400     -0.9185000    


%chk=000018331-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000018331

0 1
N 0.466299 0.788091 0.230688
N -4.748239 -1.457754 -0.371127
C 0.605404 2.275944 0.211468
C -0.853294 0.213151 0.075516
C 1.603558 -0.044605 0.114389
C -0.552480 2.971516 0.956541
C 0.745792 2.828438 -1.232590
C -1.626906 -0.141313 1.208317
C -1.401878 -0.021189 -1.211858
C 1.458654 -1.468614 0.114161
C 2.930533 0.483217 0.017172
C -2.915387 -0.692381 1.069625
C -2.688879 -0.570754 -1.367085
C -3.471324 -0.913093 -0.224928
C 2.583536 -2.311738 0.038371
C 4.047150 -0.376656 -0.052697
C 3.893279 -1.780936 -0.042744
H 1.532571 2.508421 0.769967
H -0.632860 2.611611 1.997266
H -0.368093 4.060969 0.978292
H -1.520906 2.797007 0.456012
H 1.555831 2.313556 -1.778927
H 0.971513 3.911207 -1.215566
H -0.197291 2.685551 -1.791116
H -1.201565 0.014816 2.205740
H -0.801995 0.218477 -2.097026
H 0.458485 -1.906214 0.181933
H 3.104129 1.562429 -0.012568
H -3.495420 -0.957613 1.962270
H -3.092347 -0.742643 -2.372793
H 2.432724 -3.398050 0.045455
H 5.049236 0.063536 -0.124284
H 4.764485 -2.441650 -0.101342
H -5.302779 -1.711343 0.440871
H -5.141634 -1.623492 -1.292505


