%chk=000049841.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049841

0 1
 O    1.522500      -2.609800       1.101100    
 N  -0.5392000      0.4394000      0.8862000    
 N    2.797700     -0.2727000      7.1500003E-02
 N    4.752300      0.9521000     -0.1214000    
 N    3.645900      0.4610000      -2.052700    
 C   0.2402000     -0.6183000       1.489600    
 C   0.7800000      -1.587400      0.4371000    
 C  -8.8000000E-02   1.821000       1.052700    
 C   -1.709100      0.1633000      0.1669000    
 C    1.661800     -0.9060000     -0.6080000    
 C   -1.146100       2.664500       1.743400    
 C   -2.111000       1.002500     -0.8788000    
 C   -2.488500     -0.9544000      0.4869000    
 C   -3.276400      0.7280000      -1.594500    
 C   -3.653700      -1.229000     -0.2290000    
 C   -4.047700     -0.3877000      -1.269700    
 C    3.659500      0.3334000     -0.6815000    
 H  -0.3442000      -1.163000       2.241900    
 H    1.077000     -0.2142000       2.074400    
 H  -3.7599999E-02  -2.096700     -8.2099997E-02
 H   0.8214000       1.856300       1.664800    
 H   0.1960000       2.261000      9.0099998E-02
 H    1.086200     -0.1702000      -1.180100    
 H    2.035900      -1.673300      -1.297300    
 H   -2.044900       2.805600       1.137600    
 H   -1.449600       2.211000       2.693300    
 H  -0.7439000       3.659700       1.960500    
 H   -1.530100       1.869100      -1.179900    
 H   -2.228700      -1.626200       1.299200    
 H    2.294600      -2.190800       1.518600    
 H   -3.581000       1.380000      -2.408000    
 H   -4.256600      -2.095700      2.5699999E-02
 H   -4.954800     -0.6018000      -1.827200    
 H    4.900900      0.9450000      0.8818000    
 H    5.439600       1.433000     -0.6913000    
 H    4.381200      0.9638000      -2.537800    
 H    2.909800      6.4300001E-02  -2.625700    


%chk=000049841-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049841

0 1
O 1.551407 -2.493006 1.130783
N -0.695782 0.473274 0.394617
N 3.057196 -0.487979 0.196595
N 5.007673 0.760471 0.587829
N 4.177388 0.667112 -1.608050
C 0.138529 -0.485016 1.143821
C 0.871726 -1.531798 0.257698
C -0.187897 1.853987 0.265427
C -2.005658 0.141411 0.002951
C 1.927519 -0.882995 -0.671901
C -0.661989 2.802439 1.393781
C -2.869850 1.101625 -0.616600
C -2.528298 -1.178080 0.200907
C -4.173234 0.750670 -1.022662
C -3.836454 -1.509103 -0.203575
C -4.676785 -0.555189 -0.823329
C 4.023688 0.265724 -0.276247
H -0.460134 -1.036752 1.892770
H 0.910849 0.075379 1.702165
H 0.140797 -2.103871 -0.339493
H 0.916587 1.807359 0.271583
H -0.476076 2.265131 -0.721205
H 1.467089 -0.032762 -1.223383
H 2.241777 -1.646397 -1.417380
H -1.763452 2.869768 1.420357
H -0.320609 2.434722 2.378335
H -0.253807 3.820144 1.245601
H -2.532527 2.129695 -0.777488
H -1.913225 -1.952050 0.668103
H 2.430359 -2.046328 1.323582
H -4.803940 1.514289 -1.494032
H -4.199358 -2.529858 -0.033219
H -5.691554 -0.820020 -1.137540
H 4.884035 0.526303 1.571046
H 5.957448 0.903309 0.249117
H 4.742829 1.476980 -1.850512
H 3.575133 0.268211 -2.322151


