%chk=000022361.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022361

0 1
 O    4.799900       1.311800     -0.4896000    
 O    4.820400     -0.8770000     -0.6553000    
 N   -1.203300      6.3199997E-02   1.001100    
 N    4.222100      0.2003000     -0.4190000    
 N   -1.914800      0.1412000     -2.4700001E-02
 N   -4.348300       2.397900     -0.5408000    
 N   -4.365500      -1.996800     -0.8633000    
 C   0.8359000      -1.102500      0.3772000    
 C   0.1507000      8.2599998E-02  0.6450000    
 C    2.185000      -1.063800      2.4700001E-02
 C    2.848700      0.1602000     -6.0100000E-02
 C   0.8143000       1.306500      0.5603000    
 C    2.163300       1.345300      0.2077000    
 C   0.1464000      -2.425000      0.4612000    
 C   -3.340900      0.1231000      0.2987000    
 C   -3.902100       1.392100     -0.1716000    
 C   -3.911800      -1.059200     -0.3515000    
 H    2.701700      -1.998200     -0.1819000    
 H   0.2896000       2.235600      0.7679000    
 H    2.647900       2.316700      0.1517000    
 H   0.8523000      -3.258800      0.3806000    
 H  -0.3671000      -2.533800       1.422300    
 H  -0.5816000      -2.526400     -0.3501000    
 H   -3.510300      4.4199999E-02   1.381300    


%chk=000022361-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000022361

0 1
O 4.783446 1.464363 -0.678566
O 5.107181 -0.665389 0.073237
N -1.278092 -0.429719 0.324554
N 4.350548 0.328842 -0.246912
N -2.056828 0.519448 -0.089156
N -4.563090 1.930384 1.850336
N -4.785365 0.010653 -2.172913
C 0.989844 -1.271977 0.502252
C 0.128824 -0.183666 0.151263
C 2.383607 -1.076892 0.360330
C 2.876662 0.155283 -0.111057
C 0.648136 1.055804 -0.320694
C 2.030836 1.234769 -0.455973
C 0.446408 -2.595685 0.996926
C -3.522835 0.130465 0.175892
C -4.113342 1.131962 1.089243
C -4.234692 0.079830 -1.118932
H 3.091650 -1.870528 0.613071
H -0.051539 1.858629 -0.570716
H 2.466712 2.170620 -0.813523
H 1.261099 -3.240523 1.364651
H -0.288488 -2.451582 1.806048
H -0.079088 -3.134598 0.187483
H -3.559095 -0.871292 0.654956


