%chk=000063227.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063227

0 1
 O   -4.242000      -1.164400      -1.492200    
 N  -0.4581000     -0.6717000      7.7000000E-03
 N   -2.120100      -1.975400      -1.173800    
 C   0.8877000     -0.6834000      0.4546000    
 C   -1.470800      0.2573000      0.3434000    
 C  -0.9176000      -2.009800     -0.3732000    
 C    1.925000     -9.4999997E-03 -0.2377000    
 C   -2.801000      6.5200001E-02 -8.0899999E-02
 C    3.252000     -5.4000001E-02  0.2523000    
 C   -3.138600      -1.074400     -0.9641000    
 C    1.201900      -1.391500       1.629200    
 C   -1.191300       1.440700       1.053000    
 C   -3.813300      0.9795000      0.2464000    
 C    1.650800      0.7078000      -1.413500    
 C    3.526200     -0.7713000       1.428200    
 C    2.506800      -1.435300       2.111100    
 C    4.265700      0.6202000     -0.4480000    
 C   -2.198600       2.353000       1.381300    
 C   -3.510100       2.117100      0.9874000    
 C    2.670300       1.371800      -2.096500    
 C    3.975200       1.328000      -1.614600    
 H   -1.148400      -2.614400      0.5127000    
 H  -0.1635000      -2.538000     -0.9693000    
 H   -2.301100      -2.758500      -1.794400    
 H   0.4246000      -1.908300       2.187700    
 H  -0.1789000       1.664400       1.382000    
 H   -4.838900      0.8274000     -7.9499997E-02
 H   0.6471000      0.7647000      -1.828000    
 H    4.538800     -0.8185000       1.823500    
 H    2.732000      -1.984000       3.020800    
 H    5.292900      0.5995000     -8.9699998E-02
 H   -1.953600       3.248600       1.945000    
 H   -4.291600       2.827100       1.240800    
 H    2.445300       1.922200      -3.005400    
 H    4.768300       1.844900      -2.147000    


%chk=000063227-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063227

0 1
O -4.007477 -1.075764 -1.939053
N -0.505232 -0.920023 0.242706
N -2.136874 -2.134109 -1.038199
C 0.884106 -0.874730 0.592870
C -1.386752 0.180723 0.364607
C -1.169640 -2.226760 0.062907
C 1.794295 -0.006690 -0.126039
C -2.677695 0.092717 -0.252948
C 3.191885 0.003266 0.262290
C -3.028455 -1.066317 -1.129764
C 1.371989 -1.718451 1.602887
C -1.040871 1.359067 1.081368
C -3.592820 1.164877 -0.128798
C 1.378647 0.814811 -1.225434
C 3.647626 -0.867188 1.307689
C 2.755880 -1.725088 1.952054
C 4.101925 0.867942 -0.432690
C -1.968140 2.413042 1.191453
C -3.251704 2.323626 0.593658
C 2.292391 1.636442 -1.889620
C 3.663772 1.674448 -1.484201
H -1.689093 -2.525499 1.003257
H -0.408555 -2.986066 -0.176709
H -2.278475 -2.923701 -1.671006
H 0.674825 -2.360858 2.152559
H -0.059062 1.434555 1.557782
H -4.558695 1.064790 -0.635632
H 0.334436 0.786049 -1.547930
H 4.707982 -0.853736 1.585210
H 3.105299 -2.392956 2.746598
H 5.155048 0.876791 -0.127096
H -1.690395 3.309782 1.757123
H -3.963906 3.149379 0.687732
H 1.959066 2.253626 -2.730876
H 4.367770 2.329003 -2.009455


