%chk=000087934.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087934

0 1
 O   0.1416000      -1.798200      5.2000000E-03
 O    3.075100       1.756900      0.1940000    
 N   -3.177900      0.1006000      7.1699999E-02
 N    1.847000     -0.2333000      0.2655000    
 C  -0.2877000      0.5964000     -0.2562000    
 C   -1.066300      0.9655000       1.021000    
 C   -1.243000      0.4249000      -1.444400    
 C   0.7865000       1.659200     -0.5581000    
 C   -2.295600      8.0600001E-02   1.244100    
 C   -2.484000     -0.4110000      -1.115400    
 C   0.5577000     -0.6477000     -1.1000000E-03
 C    2.053400       1.106000      2.9400000E-02
 C    2.887300      -1.145100      0.7004000    
 C   -4.389300     -0.6778000      0.3303000    
 C    3.595200      -1.776800     -0.4863000    
 H   -1.402400       2.009400      0.9554000    
 H  -0.4192000      0.9000000       1.904900    
 H  -0.7206000     -3.8500000E-02  -2.290900    
 H   -1.575100       1.415500      -1.784300    
 H   0.5600000       2.634000     -0.1164000    
 H   0.9477000       1.784400      -1.635000    
 H   -1.985700     -0.9433000       1.488900    
 H   -2.833900      0.4684000       2.118000    
 H   -3.156000     -0.3672000      -1.981700    
 H   -2.207300      -1.464400     -0.9849000    
 H    3.612300     -0.5928000       1.307800    
 H    2.437600      -1.928700       1.319500    
 H   -5.069800     -0.6270000     -0.5270000    
 H   -4.934800     -0.2672000       1.187300    
 H   -4.169100      -1.731900      0.5343000    
 H    2.894500      -2.344200      -1.107700    
 H    4.058700      -1.013000      -1.119500    
 H    4.378700      -2.459400     -0.1432000    


%chk=000087934-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000087934

0 1
O 0.143755 -1.620974 0.803321
O 3.307108 1.627460 -0.345863
N -3.163835 -0.005610 -0.042231
N 1.934887 -0.191883 0.273389
C -0.270581 0.731435 -0.019006
C -1.280159 1.157735 1.090025
C -1.075327 0.406240 -1.320050
C 0.809185 1.822633 -0.277126
C -2.459518 0.179327 1.251704
C -2.252495 -0.557145 -1.075322
C 0.559263 -0.500838 0.407914
C 2.168917 1.137364 -0.147248
C 3.013227 -1.165526 0.531000
C -4.386860 -0.819601 0.106533
C 3.375050 -1.976586 -0.729772
H -1.684319 2.148558 0.804099
H -0.755071 1.274023 2.058286
H -0.400838 -0.008087 -2.094984
H -1.483296 1.362180 -1.701782
H 0.756462 2.640512 0.464704
H 0.724744 2.287065 -1.274756
H -2.091530 -0.791314 1.662421
H -3.179498 0.602100 1.978201
H -2.824814 -0.670758 -2.015714
H -1.867412 -1.566483 -0.789843
H 3.887617 -0.594393 0.888259
H 2.659598 -1.835962 1.333512
H -4.914674 -0.878452 -0.862557
H -5.064841 -0.341570 0.836472
H -4.184920 -1.864030 0.454552
H 2.504314 -2.550905 -1.090399
H 3.726974 -1.311429 -1.537005
H 4.184487 -2.690786 -0.495136


