%chk=000100805.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100805

0 1
 O  -0.4747000      0.3915000       2.091000    
 N  -0.1327000     -2.0999999E-03 -0.1745000    
 N   -2.296800      5.8600001E-02  0.8054000    
 N   -2.064500     -7.8299999E-02  -1.525600    
 N   -4.193500     -9.6100003E-02 -0.5223000    
 C    1.307600     -2.0400001E-02 -0.1083000    
 C    1.985100      -1.234200      7.7000000E-03
 C    2.023400       1.175600     -0.1597000    
 C    3.378400      -1.251900      7.2499998E-02
 C    3.416600       1.158000     -9.5100001E-02
 C    1.246400      -2.532100      6.5300003E-02
 C    1.326400       2.491800     -0.2842000    
 C    4.094000     -5.5900000E-02  2.1100000E-02
 C  -0.9288000      0.1415000      0.9747000    
 C  -0.7822000     -7.6200001E-02  -1.384700    
 C   -2.828500     -3.3599999E-02 -0.3825000    
 C   -5.076300     -3.6100000E-02  0.5992000    
 H    3.922600      -2.188300      0.1628000    
 H    3.990500       2.080100     -0.1336000    
 H   0.5635000      -2.549200      0.9209000    
 H   0.6778000      -2.691900     -0.8566000    
 H    1.926900      -3.383200      0.1785000    
 H   0.7211000       2.524000      -1.195900    
 H   0.6855000       2.672600      0.5845000    
 H    2.036800       3.323900     -0.3410000    
 H    5.178900     -6.9700003E-02  7.1500003E-02
 H  -0.1193000     -0.1342000      -2.262500    
 H   -4.600300     -0.1728000      -1.449600    
 H   -6.115000     -9.7800002E-02  0.2598000    
 H   -4.959800      0.9059000       1.144500    
 H   -4.900800     -0.8702000       1.286000    


%chk=000100805-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100805

0 1
O -0.328873 0.469632 2.100686
N -0.124767 -0.009025 -0.201923
N -2.303406 0.171223 0.850698
N -2.075553 -0.289480 -1.565863
N -4.163777 -0.141048 -0.538263
C 1.328718 -0.014778 -0.127553
C 1.997959 -1.265621 -0.042223
C 2.020940 1.225571 -0.140831
C 3.413552 -1.254946 -0.000854
C 3.435723 1.190729 -0.095429
C 1.225220 -2.569400 0.041164
C 1.269885 2.541791 -0.168694
C 4.127949 -0.037913 -0.031453
C -0.927480 0.233004 1.023881
C -0.758359 -0.243164 -1.403258
C -2.810051 -0.078207 -0.375449
C -5.106880 0.050204 0.567679
H 3.952666 -2.206686 0.067023
H 3.992397 2.134675 -0.103925
H 0.556136 -2.575629 0.921700
H 0.590139 -2.741840 -0.847892
H 1.914245 -3.425433 0.131681
H 0.558550 2.598739 -1.013564
H 0.684080 2.667315 0.760882
H 1.967208 3.391830 -0.252212
H 5.222966 -0.046673 0.003561
H -0.111173 -0.396826 -2.273778
H -4.490645 -0.329839 -1.486276
H -6.134993 -0.037061 0.180897
H -4.969594 1.042737 1.031630
H -4.944483 -0.704582 1.357258


