%chk=000076046.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076046

0 1
 O   -3.072100      0.1855000       1.381600    
 N    2.812500      0.4192000      0.3459000    
 N   -1.107100      -1.177700     -4.2199999E-02
 N   -2.101000     -0.4258000     -0.6438000    
 C   0.2080000     -0.6694000     -0.4256000    
 C    1.310400      -1.541300      0.1810000    
 C   0.3858000      0.7842000      2.2299999E-02
 C    2.695900     -0.9672000     -0.1272000    
 C    1.801400       1.282300     -0.2804000    
 C    4.156400      0.9362000      8.9500003E-02
 C   -3.031500      0.2138000      0.1537000    
 C   -4.058700      0.9601000     -0.6547000    
 H   0.3058000     -0.7158000      -1.519800    
 H    1.246200      -2.562900     -0.2135000    
 H    1.182500      -1.612200       1.269800    
 H   0.1932000      0.8765000       1.100000    
 H  -0.3240000       1.447000     -0.4870000    
 H    3.443300      -1.594000      0.3742000    
 H    2.888900      -1.030100      -1.206400    
 H    1.949500       1.333500      -1.367300    
 H    1.893900       2.303600      0.1091000    
 H   -1.215000      -2.135600     -0.3738000    
 H    4.260500       1.951900      0.4872000    
 H    4.394800      0.9582000     -0.9801000    
 H    4.908400      0.3225000      0.5980000    
 H   -2.135500     -0.3929000      -1.658300    
 H   -4.523000       1.731300     -3.3799998E-02
 H   -3.594700       1.444200      -1.519000    
 H   -4.825400      0.2606000     -0.9986000    


%chk=000076046-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000076046

0 1
O -3.048391 0.337407 1.362743
N 2.877999 0.396176 0.333054
N -1.089951 -1.151142 -0.101684
N -2.204189 -0.504604 -0.664587
C 0.237002 -0.607687 -0.472905
C 1.329753 -1.539271 0.093560
C 0.433378 0.816585 0.087246
C 2.730422 -0.971582 -0.212315
C 1.857640 1.321269 -0.214658
C 4.249147 0.915169 0.174645
C -3.112255 0.231000 0.110288
C -4.216476 0.894772 -0.719133
H 0.362365 -0.564942 -1.588480
H 1.241973 -2.556252 -0.341192
H 1.194555 -1.617299 1.187938
H 0.261696 0.788013 1.177639
H -0.308298 1.510079 -0.352374
H 3.502289 -1.616405 0.247906
H 2.903254 -0.990748 -1.323680
H 1.983226 1.450519 -1.325171
H 2.006050 2.315444 0.246390
H -1.164779 -2.175190 -0.152663
H 4.331845 1.902955 0.662314
H 4.559639 1.031914 -0.896109
H 4.966264 0.231814 0.664328
H -2.312847 -0.482045 -1.688906
H -4.188108 1.983768 -0.542990
H -4.137858 0.706076 -1.804704
H -5.195946 0.529905 -0.365701


