%chk=000097158.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097158

0 1
 O    4.475600       1.021400      0.3429000    
 O    4.427900      -1.067500     -0.3304000    
 N   -1.737900      1.7899999E-02  8.5000005E-03
 N   0.3325000      -1.132700     -0.3583000    
 N    3.841200     -1.0100000E-02  9.1000004E-03
 C   -4.621400     -6.3900001E-02 -8.4100001E-02
 C   -3.856000       1.234200     -0.3092000    
 C   -3.830200     -0.9881000      0.8335000    
 C   -2.450200      0.9731000     -0.8479000    
 C   -2.428200      -1.249500      0.2874000    
 C  -0.3376000      2.9000000E-03  6.6000000E-03
 C   0.3429000       1.168000      0.3834000    
 C    1.733400       1.168700      0.3858000    
 C    1.683700      -1.094400     -0.3438000    
 C    2.424200      1.9900000E-02  1.6500000E-02
 H   -5.599800      0.1525000      0.3588000    
 H   -4.802600     -0.5601000      -1.045200    
 H   -4.406500       1.873900      -1.007900    
 H   -3.785500       1.780600      0.6398000    
 H   -3.754800     -0.5313000       1.828400    
 H   -4.362900      -1.937800      0.9552000    
 H   -2.507200      0.5700000      -1.866800    
 H   -1.924000       1.932400     -0.9116000    
 H   -1.877100      -1.835700       1.033500    
 H   -2.484800      -1.847700     -0.6305000    
 H  -0.1916000       2.063700      0.6860000    
 H    2.247700       2.078800      0.6832000    
 H    2.146700      -2.029400     -0.6444000    


%chk=000097158-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097158

0 1
O 4.451802 1.069356 0.481359
O 4.284120 -1.174982 0.904802
N -1.745455 -0.035013 -0.547229
N 0.226512 -1.147721 0.072267
N 3.769016 -0.032712 0.566066
C -4.546768 -0.035333 0.315396
C -3.736332 1.275351 0.181406
C -3.606671 -1.230080 0.603067
C -2.607544 1.122742 -0.868954
C -2.484390 -1.320028 -0.455910
C -0.390338 0.039620 -0.290844
C 0.367724 1.262502 -0.392648
C 1.734885 1.243942 -0.112678
C 1.548866 -1.148952 0.337796
C 2.345366 0.019195 0.264211
H -5.304745 0.063672 1.114393
H -5.098796 -0.222335 -0.629190
H -4.394144 2.112996 -0.119396
H -3.286351 1.540768 1.157674
H -3.148340 -1.117868 1.604576
H -4.174565 -2.179562 0.605725
H -3.058894 0.952748 -1.869231
H -2.013807 2.045957 -0.929640
H -1.756734 -2.107460 -0.214046
H -2.927225 -1.534150 -1.451700
H -0.099208 2.202770 -0.691378
H 2.346639 2.147542 -0.179284
H 2.002876 -2.103166 0.621890


