%chk=000021840.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021840

0 1
 O   -1.688000      -1.545000       1.099600    
 N    4.081600       3.125300      0.8268000    
 C   3.4699999E-02  0.5958000     -0.2717000    
 C   0.8622000     -0.6294000     -0.3592000    
 C   0.6641000      -1.643700      0.5916000    
 C   -1.455000      0.5775000     -0.1915000    
 C  -0.3792000      -1.459200       1.657400    
 C   -2.187400     -0.4472000      0.4433000    
 C   0.6999000       1.761000     -0.1440000    
 C    2.190500       1.863400     -8.9299999E-02
 C    1.816900     -0.8059000      -1.371500    
 C    1.425300      -2.817400      0.5224000    
 C   -2.183400       1.587700     -0.8570000    
 C   -3.592500     -0.4361000      0.4043000    
 C    2.572100      -1.977500      -1.429600    
 C    2.626000       3.051500      0.7674000    
 C    2.377300      -2.981000     -0.4835000    
 C   -3.579700       1.596700     -0.8738000    
 C   -4.285400      0.5835000     -0.2416000    
 H  -0.2996000      -2.262000       2.399800    
 H  -0.2389000     -0.5253000       2.217700    
 H   0.1557000       2.697500     -4.3800000E-02
 H    2.575600       2.007700      -1.106300    
 H    2.664200      0.9760000      0.3432000    
 H    1.965500     -5.4200001E-02  -2.142700    
 H    1.280000      -3.612800       1.248800    
 H   -1.672700       2.381700      -1.399000    
 H   -4.157400      -1.231500      0.8864000    
 H    3.306600      -2.110700      -2.218600    
 H    2.235500       3.988800      0.3542000    
 H    2.234500       2.950100       1.786200    
 H    2.963400      -3.894200     -0.5322000    
 H   -4.110900       2.388800      -1.393200    
 H   -5.370900      0.5801000     -0.2584000    
 H    4.356600       3.950600       1.357700    
 H    4.457500       3.251200     -0.1122000    


%chk=000021840-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021840

0 1
O -1.687945 -1.419470 1.397693
N 4.110430 3.376506 0.811410
C 0.106482 0.626239 -0.189100
C 0.856025 -0.666093 -0.321017
C 0.668304 -1.684280 0.656806
C -1.396288 0.553933 -0.173331
C -0.260574 -1.394294 1.809194
C -2.174192 -0.419431 0.533108
C 0.739627 1.842660 -0.160337
C 2.225712 2.115220 -0.202110
C 1.720489 -0.918142 -1.415396
C 1.338982 -2.921603 0.532241
C -2.120408 1.491619 -0.970276
C -3.588297 -0.437436 0.424859
C 2.392624 -2.155550 -1.533841
C 2.671287 3.079553 0.928222
C 2.204302 -3.161918 -0.558982
C -3.524021 1.486952 -1.069003
C -4.265084 0.506103 -0.366655
H -0.206445 -2.172370 2.586840
H -0.045547 -0.405440 2.260973
H 0.105712 2.736162 -0.045901
H 2.489323 2.587500 -1.175441
H 2.819397 1.188480 -0.130745
H 1.849817 -0.147184 -2.182761
H 1.182801 -3.697690 1.291159
H -1.543524 2.215056 -1.556871
H -4.128450 -1.203110 0.990478
H 3.056360 -2.335186 -2.386917
H 2.014646 3.985051 0.903476
H 2.498635 2.588136 1.904058
H 2.722359 -4.122763 -0.650437
H -4.031951 2.221322 -1.702837
H -5.357808 0.474979 -0.437460
H 4.530785 3.806945 1.639492
H 4.371138 3.861344 -0.052892


