%chk=000004521.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004521

-1 1
 O   0.6327000      -1.293000       1.888600    
 O    1.139800      -1.824500      -1.592200    
 N   0.5490000      0.3606000     -4.4399999E-02
 N   0.7423000      -1.024200      0.4906000    
 N   -4.337800     -0.2497000     -0.2344000    
 N    1.058700      -2.153000     -0.4034000    
 C    1.632300       1.295300      0.2785000    
 C  -0.7442000      0.9934000      0.1851000    
 C   -1.907300      5.3500000E-02 -0.1392000    
 C    1.534200       2.541500     -0.5968000    
 C    2.976500      0.5988000      9.1600001E-02
 C   -3.276200      0.7015000      7.5900003E-02
 H    1.568800       1.603500       1.330500    
 H  -0.8351000       1.324900       1.227300    
 H  -0.8794000       1.870000     -0.4559000    
 H   -1.858600     -0.8475000      0.4838000    
 H   -1.822800     -0.2777000      -1.183200    
 H    2.451800       3.136300     -0.5174000    
 H    1.405500       2.286500      -1.655000    
 H   0.7189000       3.205100     -0.2923000    
 H    3.141700     -0.2106000      0.8092000    
 H    3.794900       1.312100      0.2459000    
 H    3.089400      0.1979000     -0.9222000    
 H   -3.380800       1.585700     -0.5621000    
 H   -3.378600       1.025600       1.116900    
 H   -4.267700     -0.5361000      -1.210000    
 H   -5.242100      0.2098000     -0.1359000    


%chk=000004521-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004521

-1 1
O 1.022365 -0.961245 1.814373
O 0.229839 -1.891769 -1.543103
N 0.543131 0.458340 -0.129181
N 0.724726 -0.922095 0.496021
N -4.340761 -0.304250 -0.334316
N 0.593965 -2.058873 -0.269369
C 1.715458 1.301914 0.271959
C -0.766546 0.993843 0.343689
C -1.905756 0.001682 0.026316
C 1.626938 2.675114 -0.434170
C 3.019053 0.574653 -0.115325
C -3.268016 0.702247 -0.129595
H 1.716009 1.453600 1.378997
H -0.743550 1.222682 1.438558
H -0.948835 1.943082 -0.200902
H -1.973799 -0.760823 0.823169
H -1.632859 -0.531315 -0.908288
H 2.544673 3.260813 -0.231241
H 1.534627 2.528209 -1.526767
H 0.763509 3.272634 -0.088285
H 3.112648 -0.353683 0.472007
H 3.894241 1.221274 0.091818
H 3.002887 0.315114 -1.189866
H -3.189128 1.436226 -0.971418
H -3.500150 1.285257 0.786410
H -4.033877 -1.069196 -0.946818
H -5.234892 0.092262 -0.645171


