%chk=000166875.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166875

0 1
 O   -6.665000     -0.7593000      0.2672000    
 O    6.454500     -0.5912000     -0.2610000    
 O    1.807700       3.445300      0.9797000    
 N   -3.886600     -0.4964000     -6.4999998E-02
 N    3.675600     -0.8550000      6.6299997E-02
 N  -0.1245000       2.245400     -0.6916000    
 N   -2.027700      0.8766000     -0.3796000    
 N   -1.765800      -1.444400      0.1713000    
 N    1.525200      8.9299999E-02 -0.1707000    
 N    1.787100      -2.231600      0.3801000    
 C   -4.701500      0.6637000      0.3210000    
 C   -4.475300      -1.803900      0.2445000    
 C    4.491600      -2.014600     -0.3198000    
 C    4.264300      0.4530000     -0.2415000    
 C   -6.127700      0.4829000     -0.1864000    
 C   -5.913800      -1.853100     -0.2583000    
 C   -2.496300     -0.3465000     -9.3199998E-02
 C    5.916400      -1.833700      0.1911000    
 C    5.702200      0.5023000      0.2634000    
 C    2.285300      -1.005200      9.3099996E-02
 C   0.1879000     -6.8400003E-02 -0.1418000    
 C  -0.6824000      0.9746000     -0.3942000    
 C  -0.4285000      -1.286500      0.1424000    
 C  -0.4319000       3.385000      0.1418000    
 C   0.4418000      -2.329700      0.3947000    
 C   0.7417000       2.406900      -1.836700    
 C   0.4456000       3.394400       1.383400    
 H   -4.315200       1.603000     -9.0000004E-02
 H   -4.700700      0.7443000       1.415000    
 H   -4.452100      -1.955600       1.330500    
 H   -3.921700      -2.621500     -0.2317000    
 H    4.492900      -2.093600      -1.413800    
 H    4.101900      -2.953100      8.9599997E-02
 H    3.707900       1.268300      0.2343000    
 H    4.241600      0.6059000      -1.327300    
 H   -6.765400       1.285300      0.1978000    
 H   -6.170300      0.5202000      -1.281700    
 H   -5.955200      -1.830100      -1.354100    
 H   -6.393200      -2.780100      7.1900003E-02
 H    5.956400      -1.871200       1.286500    
 H    6.555100      -2.635800     -0.1920000    
 H    6.181600       1.429700     -6.5899998E-02
 H    5.741900      0.4793000       1.359200    
 H   -1.488600       3.385600      0.4345000    
 H  -0.2673000       4.311900     -0.4213000    
 H   6.6299997E-02  -3.322300      0.6272000    
 H    1.795500       2.358200      -1.545300    
 H   0.5753000       3.376500      -2.318800    
 H   0.5566000       1.640400      -2.598000    
 H   0.3027000       2.493100       1.987300    
 H   0.2317000       4.266300       2.009100    
 H    1.932700       4.263000      0.4687000    


%chk=000166875-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166875

0 1
O -6.464387 -0.607677 0.018666
O 6.675642 -1.142236 -0.281888
O -0.209681 4.715371 1.646046
N -3.649737 -0.364955 0.510960
N 3.839136 -1.281010 -0.694990
N 0.030286 2.376564 -0.378764
N -1.736264 0.939232 0.085721
N -1.584678 -1.481934 0.343741
N 1.806180 -0.098714 -0.430685
N 1.909911 -2.523074 -0.132046
C -4.507091 0.830504 0.559571
C -4.339157 -1.632322 0.815472
C 4.647516 -2.515450 -0.728593
C 4.575433 -0.058445 -1.058550
C -5.736179 0.619858 -0.347664
C -5.572768 -1.778347 -0.095851
C -2.278137 -0.311789 0.304578
C 5.906454 -2.328475 0.140553
C 5.837859 0.065431 -0.180873
C 2.480792 -1.281634 -0.416135
C 0.453889 -0.119090 -0.164337
C -0.402381 1.083437 -0.148575
C -0.232014 -1.357224 0.106481
C -0.976173 3.460779 -0.400460
C 0.593268 -2.534637 0.116052
C 1.438855 2.815374 -0.449013
C -1.331390 4.016800 0.995137
H -3.913152 1.699584 0.236493
H -4.850364 1.000256 1.602348
H -4.665791 -1.629717 1.876726
H -3.624798 -2.457397 0.666215
H 4.953860 -2.725624 -1.774755
H 4.026162 -3.348777 -0.365880
H 3.913023 0.809780 -0.924041
H 4.877122 -0.113097 -2.125633
H -6.464632 1.438998 -0.227108
H -5.411852 0.560633 -1.409760
H -5.247920 -1.898134 -1.152221
H -6.187615 -2.643180 0.203110
H 5.614705 -2.224656 1.208076
H 6.597073 -3.180060 0.026237
H 6.478026 0.895823 -0.522011
H 5.543463 0.231621 0.878260
H -1.899827 3.069407 -0.860048
H -0.573897 4.271567 -1.040187
H 0.125335 -3.499990 0.338943
H 1.661507 3.469375 0.414202
H 1.603711 3.385834 -1.384273
H 2.089817 1.931951 -0.441965
H -1.584811 3.187067 1.671213
H -2.214181 4.686824 0.904259
H -0.009846 5.543176 1.139145


