%chk=000089336.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089336

0 1
 O    1.410200      -1.578500       1.204600    
 O    3.520200      -1.065200      0.8318000    
 O   -1.644500      0.5009000      3.3199999E-02
 O   -2.837300      -1.413900     -0.4349000    
 N    2.306800     -0.9810000      0.5910000    
 N  -0.5519000     -0.2974000     -0.3295000    
 N   -3.875400      0.5327000      0.2767000    
 C    1.899200     -0.1115000     -0.5360000    
 C    2.730600       1.172600     -0.5028000    
 C    2.004800       2.085900      0.4880000    
 C   0.5228000       1.845900      0.2244000    
 C   0.5222000      0.4102000     -0.2219000    
 C    2.016800     -0.9064000      -1.817900    
 C   -2.789000     -0.2407000     -7.7600002E-02
 C   -5.235500      4.6399999E-02  0.2709000    
 H    2.708200       1.652900      -1.490700    
 H    3.785900       1.051500     -0.2395000    
 H    2.277900       3.137000      0.3549000    
 H    2.256800       1.801400       1.516800    
 H   0.1571000       2.476300     -0.5921000    
 H  -6.9399998E-02   2.012000       1.127400    
 H    1.419000      -1.825000      -1.783500    
 H    1.657700     -0.3234000      -2.673700    
 H    3.054600      -1.194400      -2.020800    
 H   -3.709400       1.492500      0.5634000    
 H   -5.606700      6.0500000E-02   1.298500    
 H   -5.295000     -0.9679000     -0.1305000    
 H   -5.837400      0.7236000     -0.3399000    


%chk=000089336-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000089336

0 1
O 1.937490 -0.619953 1.882047
O 3.442827 -1.669565 0.539203
O -1.730530 0.484576 0.055574
O -3.018481 -1.138804 -1.162393
N 2.458075 -0.872818 0.733092
N -0.529779 -0.249978 -0.376096
N -3.968784 0.381070 0.366593
C 1.894023 -0.084521 -0.521594
C 2.765616 1.204910 -0.630319
C 2.174716 2.181427 0.421993
C 0.646011 1.891880 0.413558
C 0.526238 0.481704 -0.133866
C 1.921560 -1.017611 -1.734409
C -2.946238 -0.214705 -0.333622
C -5.368042 -0.012691 0.176277
H 2.629022 1.603668 -1.653441
H 3.839301 0.991887 -0.493357
H 2.403024 3.233193 0.181198
H 2.591997 1.966717 1.420851
H 0.091420 2.586191 -0.247661
H 0.183565 1.966934 1.412843
H 1.235375 -1.867831 -1.591151
H 1.582975 -0.459361 -2.623634
H 2.941163 -1.396159 -1.909080
H -3.722957 1.102610 1.044656
H -5.802254 -0.409430 1.112283
H -5.397535 -0.805664 -0.587535
H -5.980500 0.839323 -0.171710


