%chk=000040385.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040385

0 1
 O    3.723000      -2.800400     -0.4825000    
 O    1.744100      -2.339300      0.5153000    
 N   -2.039800      0.7184000      0.9903000    
 N    1.013900      0.2883000     -0.1011000    
 N   -2.075300      0.5395000      -1.224900    
 C   -1.350100      0.8713000     -0.1802000    
 C   4.2300001E-02   1.357300     -0.1910000    
 C   -3.293400      0.2569000      0.6804000    
 C   -3.290700      0.1537000     -0.7079000    
 C    2.379300      0.4992000     -2.4900001E-02
 C   -4.395900     -6.9100000E-02   1.471100    
 C   -4.448000     -0.2999000      -1.363200    
 C    3.294900     -0.5696000      6.0600001E-02
 C    2.894100       1.811000     -3.2299999E-02
 C   -5.539100     -0.5189000      0.8023000    
 C   -5.566800     -0.6329000     -0.5895000    
 C    4.667900     -0.3355000      0.1357000    
 C    4.267100       2.045200      4.2700000E-02
 C    5.154000      0.9719000      0.1267000    
 C    2.818600      -1.947200      7.2300002E-02
 H   0.2009000       1.921200      -1.118700    
 H   0.1737000       2.058000      0.6437000    
 H   -1.690700      0.9094000       1.920300    
 H   0.6753000     -0.6668000     -0.1150000    
 H   -4.371900      2.0400001E-02   2.551200    
 H   -4.479500     -0.3921000      -2.444200    
 H    2.245800       2.680400     -9.9900000E-02
 H   -6.422600     -0.7846000       1.377700    
 H   -6.470100     -0.9855000      -1.080800    
 H    5.385200      -1.148100      0.2164000    
 H    4.646300       3.062900      3.5599999E-02
 H    6.222800       1.154800      0.1883000    
 H    3.402400      -3.727500     -0.4745000    


%chk=000040385-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040385

0 1
O 3.666108 -2.810826 0.819285
O 1.502103 -2.215270 0.264357
N -1.712565 0.050185 0.556262
N 1.022706 0.339977 -0.346977
N -2.405927 1.229406 -1.273507
C -1.355325 0.887388 -0.511922
C 0.052872 1.377050 -0.715085
C -3.096630 -0.167692 0.474688
C -3.517806 0.587514 -0.674612
C 2.370442 0.571921 -0.149031
C -3.995944 -0.921885 1.255556
C -4.878782 0.594055 -1.054807
C 3.253227 -0.510159 0.240443
C 2.940807 1.874785 -0.315780
C -5.350581 -0.900469 0.859171
C -5.785232 -0.154885 -0.276366
C 4.638165 -0.252541 0.450249
C 4.308588 2.094465 -0.094970
C 5.172286 1.034015 0.291600
C 2.716545 -1.859546 0.425206
H 0.145265 1.697488 -1.771728
H 0.220792 2.277280 -0.087438
H -1.066960 -0.343068 1.240620
H 0.737792 -0.653073 -0.328212
H -3.671241 -1.499613 2.127157
H -5.205170 1.166106 -1.928486
H 2.309307 2.707225 -0.638113
H -6.086280 -1.470613 1.437091
H -6.846640 -0.167891 -0.546715
H 5.275914 -1.091667 0.741843
H 4.714520 3.103190 -0.233629
H 6.237903 1.218238 0.456394
H 3.207440 -3.688689 0.907455


