%chk=000021839.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021839

0 1
 O    3.801700      0.5395000      0.3542000    
 O   -3.801300      0.5402000     -0.3551000    
 N    1.165800     -0.3552000     -0.2405000    
 N   -1.166100     -0.3554000      0.2411000    
 C  -9.9999997E-05  -1.202700      6.0000003E-04
 C    1.444700      0.4927000      0.9269000    
 C    2.345200      -1.169900     -0.5642000    
 C   -1.443800      0.4937000     -0.9256000    
 C   -2.345900      -1.170400      0.5629000    
 C    2.671600       1.358700      0.6562000    
 C    3.551500     -0.2651000     -0.7988000    
 C   -2.670900       1.359600     -0.6552000    
 C   -3.552300     -0.2657000      0.7974000    
 H   0.1768000      -1.853800      0.8673000    
 H  -0.1768000      -1.853900     -0.8661000    
 H    1.630300     -0.1295000       1.812600    
 H   0.6121000       1.166200       1.157000    
 H    2.163200      -1.760400      -1.469400    
 H    2.565200      -1.864700      0.2570000    
 H   -1.628600     -0.1276000      -1.812100    
 H  -0.6111000       1.167500      -1.154200    
 H   -2.164700      -1.761700       1.467700    
 H   -2.565100      -1.864300     -0.2591000    
 H    2.497400       2.061400     -0.1679000    
 H    2.916700       1.946800       1.546400    
 H    4.443700     -0.8729000     -0.9802000    
 H    3.407800      0.3821000      -1.672700    
 H   -2.497400       2.061400      0.1698000    
 H   -2.915200       1.948600      -1.545100    
 H   -4.444700     -0.8737000      0.9773000    
 H   -3.409400      0.3806000       1.672000    


%chk=000021839-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021839

0 1
O 3.870710 0.624504 0.355034
O -3.870595 0.625219 -0.354568
N 1.204689 -0.395947 -0.119912
N -1.204705 -0.395883 0.119751
C -0.000055 -1.235667 -0.000413
C 1.526766 0.343675 1.126377
C 2.394170 -1.114627 -0.635254
C -1.526626 0.344794 -1.125958
C -2.394305 -1.114899 0.634366
C 2.674651 1.326778 0.859556
C 3.533271 -0.108496 -0.876848
C -2.674420 1.327798 -0.858391
C -3.533342 -0.108873 0.876712
H 0.025998 -1.899301 0.900585
H -0.026206 -1.898568 -0.901948
H 1.827571 -0.359574 1.943737
H 0.618204 0.882542 1.448705
H 2.134138 -1.613254 -1.588912
H 2.750104 -1.898646 0.079341
H -1.827460 -0.357761 -1.943905
H -0.617986 0.883820 -1.447792
H -2.134411 -1.614374 1.587617
H -2.750243 -1.898265 -0.080944
H 2.349281 2.087345 0.117422
H 2.999725 1.826898 1.786684
H 4.462343 -0.620857 -1.177146
H 3.227217 0.609891 -1.667917
H -2.349022 2.087687 -0.115576
H -2.999368 1.828751 -1.785113
H -4.462487 -0.621414 1.176477
H -3.227307 0.608803 1.668433


