%chk=000018579.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018579

0 1
 O    3.319600      0.2050000       1.236700    
 N   -1.550700       1.253700      0.2553000    
 C  -0.6562000      -1.094200      2.3499999E-02
 C   -1.428100      9.9100001E-02 -0.6460000    
 C   0.7596000     -0.6727000      0.5281000    
 C  -0.4985000      -2.255200     -0.9882000    
 C   -1.426700      -1.648500       1.246300    
 C   -2.838000     -0.2509000      -1.135600    
 C    1.715500     -0.1392000     -0.5431000    
 C   -2.408600      0.9194000       1.388200    
 C   -2.077700       2.405600     -0.4704000    
 C    3.048400      0.3013000      4.0899999E-02
 C    4.041500      0.8766000     -0.9357000    
 H  -0.8494000      0.4028000      -1.528100    
 H    1.235100      -1.534400       1.017700    
 H   0.6578000      8.5400000E-02   1.316100    
 H   -1.458200      -2.742000      -1.193000    
 H  -9.6000001E-02  -1.903100      -1.943800    
 H   0.1785000      -3.027700     -0.6054000    
 H   -1.107700      -2.688300       1.414200    
 H   -2.506800      -1.722900       1.116600    
 H   -1.169000      -1.173700       2.193900    
 H   -3.360300      0.5762000      -1.623700    
 H   -2.748400     -0.9998000      -1.933300    
 H   -3.516800     -0.7014000     -0.4112000    
 H    1.923900     -0.9107000      -1.290800    
 H    1.284800      0.7330000      -1.043700    
 H   -1.823100      0.5901000       2.246000    
 H   -3.293400      0.3036000       1.234100    
 H   -2.828400       1.857100       1.785800    
 H   -1.899200       3.310400      0.1235000    
 H   -3.155500       2.369300     -0.6603000    
 H   -1.552100       2.565600      -1.418800    
 H    4.278100      0.1314000      -1.699100    
 H    3.622100       1.772600      -1.399600    
 H    4.961300       1.147900     -0.4101000    


%chk=000018579-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018579

0 1
O 3.358941 -0.205414 1.200382
N -1.372761 1.207145 0.040276
C -0.727661 -1.311146 0.003128
C -1.562150 -0.120592 -0.632532
C 0.639256 -0.814110 0.568592
C -0.469923 -2.357312 -1.123974
C -1.473350 -2.057643 1.147013
C -3.059228 -0.477397 -0.860319
C 1.517966 -0.011714 -0.405963
C -1.998716 1.392782 1.364601
C -1.657242 2.350827 -0.851745
C 2.911474 0.303869 0.137059
C 3.742108 1.299734 -0.671065
H -1.114531 0.030092 -1.637781
H 1.210025 -1.692290 0.929341
H 0.457981 -0.180252 1.455915
H -1.416715 -2.772730 -1.515944
H 0.081286 -1.920568 -1.977741
H 0.126566 -3.201846 -0.731259
H -0.840769 -2.885276 1.520240
H -2.423100 -2.499796 0.796309
H -1.699095 -1.405056 2.007997
H -3.560787 0.311643 -1.450608
H -3.167454 -1.424517 -1.418130
H -3.604842 -0.584279 0.093581
H 1.663563 -0.548426 -1.367871
H 1.011428 0.942025 -0.655922
H -1.664524 0.613159 2.066620
H -3.116460 1.388761 1.347708
H -1.677900 2.368114 1.775458
H -1.310920 3.284931 -0.371001
H -2.740048 2.485568 -1.098430
H -1.106783 2.232031 -1.803303
H 3.587213 1.174894 -1.757815
H 3.423647 2.328735 -0.411321
H 4.810904 1.197454 -0.424499


