%chk=000161850.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161850

0 1
 O    1.863600       1.658600      -1.149200    
 O    2.196600     -0.8009000       1.507400    
 O   -2.776100       1.329900     -0.3280000    
 O   -2.507500     -0.4076000       1.122900    
 N  -0.2088000      -1.124400     -0.2363000    
 C  -0.6786000      0.2707000     -0.3063000    
 C    1.670300       1.118900      0.1554000    
 C   0.1947000       1.211600      0.5386000    
 C    2.134900     -0.3345000      0.1619000    
 C    1.201900      -1.234400     -0.6583000    
 C   -1.024000      -2.021800      -1.065200    
 C   -2.067000      0.3339000      0.2571000    
 H  -0.6958000      0.6032000      -1.352900    
 H    2.256700       1.721700      0.8584000    
 H  -0.1540000       2.243100      0.3997000    
 H   7.8500003E-02  0.9798000       1.605900    
 H    3.144000     -0.4136000     -0.2596000    
 H    1.302300     -0.9888000      -1.723700    
 H    1.527400      -2.273600     -0.5232000    
 H   -2.064400      -2.069200     -0.7302000    
 H  -0.6449000      -3.048500      -1.000500    
 H   -1.017300      -1.723200      -2.120000    
 H    2.814100       1.611300      -1.348500    
 H    2.823800     -0.2331000       1.986600    
 H   -3.688700       1.387100      2.6900001E-02


%chk=000161850-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161850

0 1
O 1.714714 1.725680 -1.175719
O 2.281450 -0.860759 1.517573
O -2.663724 1.605104 -0.265625
O -2.815885 -0.437384 0.820473
N -0.187939 -1.146214 -0.257440
C -0.691515 0.242102 -0.327402
C 1.639488 1.129929 0.172655
C 0.167560 1.166072 0.586980
C 2.170151 -0.325928 0.152054
C 1.237234 -1.241553 -0.648998
C -0.996108 -2.124402 -1.017017
C -2.137975 0.364209 0.145675
H -0.650027 0.660565 -1.364310
H 2.242714 1.735674 0.887075
H -0.207412 2.200893 0.523598
H 0.088225 0.802749 1.627374
H 3.170792 -0.339725 -0.341872
H 1.381888 -0.994318 -1.733447
H 1.565792 -2.284469 -0.493070
H -2.026192 -2.144061 -0.630173
H -0.564840 -3.130872 -0.874262
H -1.022294 -1.912521 -2.116865
H 2.655342 1.717756 -1.487666
H 2.920914 -0.304120 2.032223
H -3.590652 1.691792 0.087088


