%chk=000042096.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042096

0 1
 O   -1.455400      0.3017000      0.2246000    
 O    1.865300      -2.011700       1.214900    
 O   -3.284100     -0.9950000     -0.3314000    
 N   0.8575000     -0.4777000      0.1745000    
 N    1.682800      -1.501100      0.1033000    
 C    1.237800      0.6075000     -0.7339000    
 C    2.365200       1.444500     -0.1179000    
 C    1.673600     -9.9999997E-05  -2.063200    
 C    1.971500       2.070600       1.214000    
 C  -0.5701000     -0.8159000      1.0000000E-03
 C   -2.781800      6.3800000E-02  1.9800000E-02
 C   -3.562300       1.313300      0.2943000    
 H   0.4013000       1.292200     -0.9224000    
 H    2.632600       2.249500     -0.8141000    
 H    3.274300      0.8462000      2.3399999E-02
 H    1.824100      0.8062000      -2.792300    
 H    2.628200     -0.5373000      -2.013200    
 H   0.9159000     -0.6627000      -2.496000    
 H    1.801700       1.312400       1.984600    
 H    2.771600       2.728600       1.568500    
 H    1.061800       2.671000       1.112200    
 H  -0.8449000      -1.587000      0.7331000    
 H  -0.7588000      -1.220600      -1.002300    
 H   -3.427000       1.613500       1.336400    
 H   -3.238000       2.109000     -0.3811000    
 H   -4.625300       1.122200      0.1217000    


%chk=000042096-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042096

0 1
O -1.559665 -0.454819 0.668782
O 1.265087 -2.077152 1.561522
O -2.019604 1.018133 -1.087428
N 0.761005 -0.642936 -0.112898
N 1.698243 -1.146404 0.792733
C 1.275026 0.410482 -1.050935
C 2.001020 1.543545 -0.283262
C 2.176477 -0.232542 -2.129211
C 1.101942 2.285178 0.727837
C -0.583028 -1.186500 -0.204008
C -2.224893 0.638267 0.088051
C -3.182442 1.252682 1.081565
H 0.369006 0.830506 -1.524942
H 2.376532 2.258187 -1.041287
H 2.883929 1.120589 0.229705
H 2.493242 0.530962 -2.862062
H 3.078393 -0.669939 -1.665880
H 1.644191 -1.031202 -2.677180
H 0.733696 1.600526 1.513486
H 1.662394 3.096032 1.226731
H 0.225749 2.737056 0.225582
H -0.584020 -2.204600 0.212732
H -0.934764 -1.137560 -1.246731
H -3.861075 0.483332 1.486635
H -2.617406 1.670666 1.933394
H -3.761536 2.050611 0.595566


