%chk=000086643.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086643

0 1
 O  -0.7287000     -0.1479000      0.2578000    
 O    1.821500       1.993500      8.9800000E-02
 O    1.958300      0.6140000      -1.622700    
 O   -2.147100      -1.798700     -0.4914000    
 N    1.821000      0.8640000     -0.4176000    
 C    1.664200     -0.2930000      0.4982000    
 C    2.902500      -1.177600      0.3567000    
 C   0.3868000      -1.016600      9.0000004E-02
 C    4.204700     -0.4275000      0.6124000    
 C   -1.946300     -0.6677000     -7.1900003E-02
 C   -3.009400      0.3511000      0.1533000    
 C   -2.655500       1.711300      0.6715000    
 C   -4.271800     -4.8000002E-03 -0.1259000    
 H    1.575400      0.1104000       1.513900    
 H    2.827800      -2.004200       1.074000    
 H    2.951300      -1.637400     -0.6387000    
 H   0.4284000      -1.361400     -0.9512000    
 H   0.2492000      -1.893400      0.7349000    
 H    4.181000      8.2199998E-02   1.581000    
 H    4.415700      0.3121000     -0.1657000    
 H    5.042100      -1.133000      0.6253000    
 H   -2.176600       1.635900       1.653300    
 H   -1.969900       2.218000     -1.5600000E-02
 H   -3.539000       2.348900      0.7845000    
 H   -5.091000      0.6930000      1.7100001E-02
 H   -4.533800     -0.9883000     -0.5014000    


%chk=000086643-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086643

0 1
O -0.725901 -0.122103 0.209642
O 2.051118 2.071510 0.066416
O 1.899358 0.726480 -1.769779
O -2.152523 -1.862048 -0.388094
N 1.877666 0.932441 -0.499954
C 1.672155 -0.295859 0.411400
C 2.932961 -1.189165 0.329900
C 0.413352 -1.038898 -0.028264
C 4.227513 -0.475803 0.770601
C -2.001421 -0.668095 -0.032412
C -3.074206 0.352202 0.197372
C -2.676209 1.756477 0.600800
C -4.361878 -0.055760 0.020821
H 1.545819 0.133973 1.418971
H 2.748795 -2.064957 0.981672
H 3.034447 -1.567461 -0.704862
H 0.454698 -1.305142 -1.098989
H 0.280684 -1.960408 0.566471
H 4.138767 -0.077998 1.797878
H 4.478462 0.367264 0.102881
H 5.076282 -1.181437 0.750682
H -2.104325 1.752935 1.545907
H -2.019680 2.217514 -0.158589
H -3.568412 2.391851 0.729694
H -5.201575 0.631942 0.166875
H -4.585147 -1.086557 -0.275440


