%chk=000005823.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005823

0 1
 O    2.108200       1.280300     -0.4193000    
 O   -5.133300     -0.6739000      0.2322000    
 O   -4.708900       1.473800      2.0199999E-02
 N    1.157800     -0.8280000     -0.1508000    
 N   -4.330800      0.2806000      9.8999999E-02
 N    3.419300     -0.6021000     -0.3092000    
 N    5.706300     -0.6176000      0.1338000    
 N    4.552700       1.269400      0.6943000    
 C  -0.2267000     -0.5483000     -8.7600000E-02
 C   -1.124400      -1.593600      5.9500001E-02
 C  -0.6583000      0.7655000     -0.1741000    
 C   -2.940300     -3.0000001E-04  3.5799999E-02
 C   -2.490300      -1.317700      0.1215000    
 C   -2.024300       1.041300     -0.1118000    
 C    2.211000      6.3699998E-02 -0.2924000    
 C    4.481900      7.0000002E-03  0.1489000    
 H  -0.7841000      -2.623200      0.1270000    
 H  -1.3900000E-02   1.624700     -0.2867000    
 H   -3.174400      -2.154700      0.2369000    
 H   -2.339400       2.079600     -0.1812000    
 H    1.412700      -1.810100     -7.7799998E-02
 H    6.539400     -0.1599000      0.4872000    
 H    5.811000      -1.556500     -0.2352000    
 H    3.734100       1.860300      0.7877000    
 H    5.433500       1.649600       1.023700    


%chk=000005823-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005823

0 1
O 2.119993 1.394556 0.168803
O -5.231246 -0.835730 -0.125894
O -4.878905 1.419275 -0.039943
N 1.155277 -0.761348 0.062353
N -4.450100 0.197304 -0.068427
N 3.437436 -0.619701 0.135333
N 5.749155 -0.766749 0.203208
N 4.765381 1.386758 0.251976
C -0.215830 -0.468491 0.032287
C -1.122953 -1.570523 -0.031540
C -0.731156 0.862194 0.062215
C -2.998233 -0.031773 -0.033980
C -2.506928 -1.358515 -0.064682
C -2.118021 1.073489 0.028951
C 2.254885 0.112883 0.126630
C 4.621978 0.024597 0.196533
H -0.731483 -2.594572 -0.054926
H -0.030597 1.697156 0.110992
H -3.213958 -2.190446 -0.113515
H -2.534366 2.084126 0.051106
H 1.438006 -1.744651 0.035807
H 6.691436 -0.388406 0.241957
H 5.604982 -1.772686 0.161880
H 3.872845 1.913717 0.243267
H 5.671203 1.847438 0.301208


