%chk=000026848.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026848

0 1
 O  -0.7511000       1.545600     -0.7259000    
 N   -4.830100     -0.1104000      0.2301000    
 N   0.6205000       1.609100     -0.5125000    
 N    2.761400      -1.207800     -0.3841000    
 C   -3.406100      0.1016000      0.4873000    
 C   -2.597300      7.7999998E-03 -0.8057000    
 C   -1.123900      0.2648000     -0.6026000    
 C  -9.2500001E-02 -0.5452000     -0.3191000    
 C   -5.601500      5.0799999E-02   1.462000    
 C   -5.054000      -1.436900     -0.3434000    
 C   0.9914000      0.3483000     -0.2715000    
 C    2.367200      2.5800001E-02 -1.6000000E-03
 C    3.191700      0.9534000      0.6104000    
 C    4.512900      0.5899000      0.8466000    
 C    4.052200      -1.525500     -0.1380000    
 C    4.959300     -0.6714000      0.4682000    
 H   -3.022200     -0.6179000       1.223300    
 H   -3.257500       1.100900      0.9175000    
 H   -2.670000     -0.9892000      -1.254800    
 H   -2.982500      0.7205000      -1.546400    
 H  -0.1054000      -1.614400     -0.1660000    
 H   -5.458800       1.054400       1.877900    
 H   -5.319600     -0.6829000       2.226100    
 H   -6.673800     -5.3800002E-02   1.262400    
 H   -6.128400      -1.651800     -0.3977000    
 H   -4.586700      -2.234000      0.2463000    
 H   -4.703200      -1.499500      -1.377900    
 H    2.847500       1.936500      0.9149000    
 H    5.193100       1.287300       1.326200    
 H    4.350400      -2.520400     -0.4518000    
 H    5.984600     -0.9765000      0.6429000    


%chk=000026848-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000026848

0 1
O -0.868590 1.464807 0.101831
N -4.929374 -0.212932 0.155822
N 0.564356 1.558588 0.364766
N 2.887088 -1.202943 -0.303744
C -3.502428 -0.034755 0.503897
C -2.586600 -0.096372 -0.750287
C -1.152322 0.187059 -0.427782
C 0.026332 -0.530038 -0.509980
C -5.827028 0.282782 1.221036
C -5.267201 -1.594608 -0.243313
C 1.055694 0.347125 -0.015592
C 2.496782 0.049372 0.102644
C 3.411196 1.010992 0.609332
C 4.774913 0.668522 0.699424
C 4.210529 -1.513902 -0.208457
C 5.189095 -0.619244 0.283121
H -3.150590 -0.790512 1.253128
H -3.383071 0.961364 0.966494
H -2.637648 -1.092126 -1.223584
H -2.972841 0.638826 -1.480878
H 0.180675 -1.542919 -0.868492
H -5.604803 1.343733 1.431465
H -5.739403 -0.287692 2.180600
H -6.875962 0.214789 0.880858
H -6.333466 -1.644171 -0.526573
H -5.089056 -2.342447 0.571847
H -4.676670 -1.900856 -1.123850
H 3.039843 1.992437 0.918121
H 5.501982 1.390062 1.086377
H 4.487648 -2.520723 -0.541282
H 6.238520 -0.925117 0.336153


