%chk=000082312.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082312

0 1
 O   -1.796600      -3.007400       1.326500    
 O    2.075000      -2.839200      -1.341300    
 N  -3.1199999E-02  -1.457500       1.215700    
 N   0.1945000      -1.430700      -1.237000    
 C  -1.3700000E-02 -0.5385000     -8.7000001E-03
 C   -1.249400      0.2924000     -9.6699998E-02
 C    1.242700      0.4091000      9.8999999E-02
 C   -1.573500       1.171800      0.9364000    
 C    1.449200       1.270100     -0.9255000    
 C   -2.081000      0.1898000      -1.211800    
 C    2.010900      0.2829000       1.206800    
 C   -2.729200       1.948600      0.8542000    
 C    2.560400       2.107800     -0.8302000    
 C   -3.236600      0.9667000      -1.294100    
 C    3.122000       1.120700       1.302200    
 C   -3.560700       1.846200     -0.2611000    
 C    3.396700       2.033400      0.2836000    
 C  -0.9142000      -2.231700       1.269900    
 C    1.134900      -2.134400      -1.288200    
 H  -0.9443000       1.262900       1.817900    
 H   0.8086000       1.329700      -1.797800    
 H   -1.867600     -0.4816000      -2.037800    
 H    1.836900     -0.4060000       2.022900    
 H   -2.982600       2.632000       1.659300    
 H    2.775400       2.817200      -1.624100    
 H   -3.884500      0.8870000      -2.162000    
 H    3.773300       1.063800       2.169600    
 H   -4.460700       2.450700     -0.3248000    
 H    4.261900       2.685700      0.3577000    


%chk=000082312-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000082312

0 1
O -1.578935 -3.034115 2.249729
O 1.761615 -2.922279 -2.239816
N -0.123663 -1.387154 1.195064
N 0.199992 -1.374126 -1.187353
C 0.008676 -0.523340 0.004658
C -1.287337 0.300857 -0.174766
C 1.246499 0.386395 0.184554
C -1.626404 1.248627 0.822252
C 1.489126 1.393687 -0.781475
C -2.140472 0.113205 -1.283898
C 2.147018 0.212247 1.258212
C -2.814011 1.999665 0.709162
C 2.627518 2.218225 -0.673268
C -3.329195 0.870995 -1.398355
C 3.285988 1.043413 1.367955
C -3.670107 1.813674 -0.403199
C 3.530526 2.046033 0.403385
C -0.912078 -2.207677 1.660436
C 1.040459 -2.141437 -1.652191
H -0.959496 1.399530 1.678742
H 0.785878 1.533995 -1.610208
H -1.869872 -0.621196 -2.048405
H 1.950570 -0.567252 2.000464
H -3.071743 2.730263 1.483580
H 2.810306 2.994996 -1.423690
H -3.986433 0.721989 -2.261998
H 3.979881 0.904942 2.204266
H -4.591832 2.399215 -0.491719
H 4.414126 2.688123 0.488484