%chk=000071230.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071230

0 1
 O   0.9872000     -0.5789000       1.576300    
 O    4.154700     -0.5336000       1.275700    
 O   -1.703800     -0.2856000      -1.120100    
 O   -5.683800     -0.7404000      -1.574500    
 N    2.170900     -0.5717000     -0.4126000    
 N  -0.7974000       1.018800      0.5840000    
 N   -4.138500      0.2864000     -0.2350000    
 N    4.652100      -2.770600       1.070200    
 C    2.834100      -1.854100     -0.2163000    
 C    3.385500      -2.219200      -1.589700    
 C    2.497800     -3.8000001E-03  -1.718100    
 C    3.638600     -0.8626000      -2.242600    
 C   0.5188000       1.178300      3.9500002E-02
 C    1.236700     -7.1800001E-02  0.4814000    
 C    1.242300       2.413700      0.5622000    
 C   0.5463000       3.745800      0.2173000    
 C   -3.075500      0.2671000      0.7527000    
 C    3.929800      -1.636500      0.7834000    
 C   -3.126200     -0.9227000       1.698600    
 C   -1.806700      0.2961000     -4.3200001E-02
 C   -3.484200      -2.200000      0.9512000    
 C   -4.814600      -2.033200      0.2384000    
 C    1.323000       4.910600      0.8373000    
 C   0.4129000       3.961100      -1.290800    
 C   -4.899600     -0.7931000     -0.6255000    
 H    2.130000      -2.597200      0.1734000    
 H    4.286000      -2.839400      -1.575800    
 H    2.617000      -2.753400      -2.162500    
 H    1.617000     -0.1025000      -2.362100    
 H    2.770100       1.051100      -1.636600    
 H    3.660700     -0.9119000      -3.334700    
 H    4.599200     -0.4597000      -1.899800    
 H   0.4195000       1.206100      -1.047000    
 H    2.270200       2.431200      0.1782000    
 H    1.336400       2.342900       1.655000    
 H  -0.4599000       3.749400      0.6545000    
 H   -3.166800       1.199300       1.322200    
 H  -0.9742000       1.397700       1.510200    
 H   -2.171700      -1.051300       2.222000    
 H   -3.889300     -0.7397000       2.465900    
 H   -2.699000      -2.446600      0.2272000    
 H   -3.544400      -3.038200       1.654400    
 H   -5.627800      -1.974400      0.9716000    
 H   -4.998900      -2.908200     -0.3947000    
 H   -4.244200       1.138100     -0.7784000    
 H    1.397800       4.793900       1.923700    
 H   0.8203000       5.863300      0.6392000    
 H    2.338600       4.972500      0.4316000    
 H  -0.2656000       3.230100      -1.740700    
 H   3.1999999E-03   4.953900      -1.506700    
 H    1.384000       3.880700      -1.790800    
 H    4.437000      -3.672200      0.6568000    
 H    5.424600      -2.744400       1.727400    


%chk=000071230-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000071230

0 1
O 1.654958 -0.921720 1.707641
O 6.002654 -1.190765 0.335781
O -2.081947 0.712284 -0.844752
O -6.230785 1.315513 0.420545
N 2.632019 -0.773216 -0.396749
N -0.581508 0.339230 0.898472
N -4.161925 0.676916 1.222682
N 4.445650 -1.005188 2.063740
C 3.646776 -1.841819 -0.110332
C 4.131650 -2.257227 -1.513077
C 2.706837 -0.303685 -1.815194
C 4.008050 -0.952643 -2.340008
C 0.630927 0.629315 0.118644
C 1.680312 -0.424448 0.517756
C 1.197842 2.053942 0.414529
C 0.290466 3.223902 -0.048174
C -2.962592 -0.167443 1.303031
C 4.819904 -1.307203 0.775954
C -3.312072 -1.642724 0.964335
C -1.847385 0.346246 0.348637
C -4.159401 -1.723914 -0.322038
C -5.483404 -0.954495 -0.129017
C 0.868098 4.560068 0.477044
C 0.121448 3.259117 -1.585633
C -5.324356 0.432369 0.496343
H 3.141945 -2.655089 0.443136
H 5.170193 -2.619655 -1.474282
H 3.479030 -3.049323 -1.922370
H 1.821710 -0.661807 -2.376471
H 2.729475 0.798505 -1.868239
H 3.963661 -1.133146 -3.426353
H 4.874911 -0.304582 -2.125727
H 0.357641 0.551987 -0.948416
H 2.189337 2.156923 -0.073937
H 1.374549 2.124962 1.506668
H -0.712810 3.078378 0.401255
H -2.576892 -0.124986 2.342378
H -0.405751 -0.050247 1.832385
H -2.375500 -2.221617 0.864182
H -3.877569 -2.071595 1.814416
H -3.594576 -1.284859 -1.163726
H -4.369412 -2.780269 -0.572272
H -6.168442 -1.522469 0.532667
H -6.018663 -0.812844 -1.083286
H -4.098218 1.630849 1.591317
H 0.965769 4.556476 1.579074
H 0.216069 5.407248 0.196349
H 1.870948 4.752137 0.048155
H -0.433060 2.377365 -1.951060
H -0.453752 4.152612 -1.889979
H 1.106830 3.307706 -2.091370
H 3.450061 -1.067849 2.330623
H 5.150501 -0.646020 2.708023


