%chk=000171118.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171118

0 1
 O    1.695500     -0.6165000     -0.6251000    
 O   -2.696100      -1.894600     -8.5600004E-02
 O   -4.053900     -0.1869000      0.5324000    
 O    3.530000      -1.706300      0.2692000    
 N    1.194100      0.6543000     -0.3851000    
 N   -2.015500       1.573900      0.7103000    
 C   -1.062900      0.2559000      -1.163000    
 C   0.1812000       1.135400      -1.277500    
 C   -1.664200      0.2311000      0.2485000    
 C   -2.935800     -0.5996000      0.2529000    
 C    2.004000       1.322100      0.4685000    
 C    3.010500      0.5572000      0.8836000    
 C    2.813200     -0.7260000      0.1710000    
 H  -0.8187000     -0.7672000      -1.477300    
 H   -1.812700      0.6160000      -1.880500    
 H   0.5543000       1.108400      -2.308000    
 H  -6.5700002E-02   2.181400      -1.061800    
 H  -0.9730000     -0.2162000      0.9709000    
 H    1.801700       2.349300      0.7271000    
 H   -2.465300       1.521700       1.623300    
 H   -2.690200       1.997700      7.4699998E-02
 H    3.815100      0.7946000       1.555200    
 H   -3.516800      -2.431700     -7.8400001E-02


%chk=000171118-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000171118

0 1
O 1.905955 -0.467185 -0.964590
O -2.508247 -1.961857 0.223455
O -4.022593 -0.208884 0.432158
O 3.581828 -1.761266 0.148124
N 1.287391 0.795042 -0.654334
N -1.845613 1.667308 0.648850
C -1.090381 0.259926 -1.271555
C 0.138904 1.173920 -1.472543
C -1.597281 0.288445 0.200676
C -2.843954 -0.608792 0.308189
C 1.747700 1.251823 0.546918
C 2.709085 0.394424 1.074899
C 2.888695 -0.733103 0.192665
H -0.845188 -0.778362 -1.553310
H -1.889923 0.617439 -1.950581
H 0.445761 1.166820 -2.533886
H -0.119678 2.204900 -1.174885
H -0.811227 -0.157535 0.837004
H 1.349323 2.182110 0.951632
H -1.896651 1.755250 1.670130
H -2.690657 2.067449 0.219981
H 3.264891 0.529844 1.997790
H -3.329340 -2.523718 0.268512


