%chk=000101993.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101993

0 1
 O   -1.236300      -2.806400     -0.3541000    
 N   -6.095400       1.252300      0.1568000    
 N    6.277800       1.109300      0.1695000    
 C   -4.879000      0.5447000      6.2100001E-02
 C    5.021300      0.4749000      7.8299999E-02
 C   -2.498500     -0.8421000     -0.1257000    
 C    2.536100     -0.7796000     -0.1011000    
 C   -3.751200       1.164600     -0.4758000    
 C   -4.804300     -0.7758000      0.5052000    
 C    3.890300       1.214000     -0.2685000    
 C    4.909700     -0.8914000      0.3354000    
 C   -2.548700      0.4641000     -0.5708000    
 C   -3.601800      -1.476300      0.4105000    
 C    2.647600      0.5868000     -0.3582000    
 C    3.667100      -1.518700      0.2457000    
 C   -1.220500      -1.587200     -0.2276000    
 C    1.240400      -1.433800     -0.1944000    
 C   4.4399999E-02 -0.8056000     -0.1388000    
 C   -6.418100       2.288800     -0.8035000    
 C   -7.044700      0.9425000       1.207300    
 C    6.369400       2.504700      0.5505000    
 C    7.494500      0.3703000     -0.1029000    
 H   -3.775100       2.192200     -0.8273000    
 H   -5.666200      -1.291800      0.9186000    
 H    3.946200       2.275900     -0.4911000    
 H    5.767900      -1.493500      0.6200000    
 H   -1.706900      0.9707000      -1.030700    
 H   -3.558600      -2.503100      0.7615000    
 H    1.799900       1.197500     -0.6550000    
 H    3.598500      -2.583900      0.4535000    
 H    1.272200      -2.513300     -0.3253000    
 H  -1.6200000E-02  0.2584000      4.7899999E-02
 H   -6.154800       1.986900      -1.823400    
 H   -7.492600       2.504300     -0.8069000    
 H   -5.896900       3.220300     -0.5589000    
 H   -7.752400       1.766000       1.355500    
 H   -7.626700      5.0099999E-02  0.9540000    
 H   -6.542600      0.7834000       2.168400    
 H    6.142300       3.155100     -0.3007000    
 H    7.378900       2.755100      0.8955000    
 H    5.687500       2.741000       1.375200    
 H    8.328200       1.048000     -0.3187000    
 H    7.382700     -0.2788000     -0.9788000    
 H    7.780700     -0.2386000      0.7612000    


%chk=000101993-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101993

0 1
O -1.175438 -2.640690 0.546061
N -6.399406 1.135090 -0.014606
N 6.562910 1.003171 -0.109386
C -5.135651 0.547800 0.065994
C 5.274663 0.473768 -0.013835
C -2.520019 -0.667104 0.235115
C 2.598424 -0.614420 0.184344
C -3.942152 1.328105 -0.075383
C -4.981928 -0.860907 0.294072
C 4.115081 1.310059 -0.148677
C 5.056924 -0.922731 0.222269
C -2.674675 0.729121 0.008225
C -3.709199 -1.437955 0.374205
C 2.824519 0.775468 -0.051521
C 3.755744 -1.437858 0.316477
C -1.204735 -1.373927 0.337821
C 1.273635 -1.216756 0.294016
C 0.050418 -0.597217 0.197943
C -6.527261 2.579913 -0.244205
C -7.606994 0.310911 0.130766
C 6.755917 2.438982 -0.352240
C 7.731576 0.124067 0.029708
H -4.005050 2.405631 -0.251284
H -5.861790 -1.500438 0.408572
H 4.229621 2.382472 -0.330272
H 5.905214 -1.603932 0.331893
H -1.797676 1.374406 -0.107226
H -3.591959 -2.513096 0.548744
H 1.969099 1.451789 -0.161279
H 3.619967 -2.511444 0.498059
H 1.236750 -2.301553 0.477210
H -0.013797 0.480762 0.017118
H -6.074342 2.884831 -1.209551
H -7.593428 2.854725 -0.268203
H -6.041923 3.167933 0.561091
H -8.499531 0.948977 0.035207
H -7.664471 -0.474848 -0.649288
H -7.648217 -0.187281 1.120400
H 6.308539 2.757470 -1.315640
H 7.833574 2.662273 -0.389756
H 6.308334 3.055931 0.453118
H 8.652441 0.719031 -0.073806
H 7.746356 -0.665661 -0.748539
H 7.756035 -0.372870 1.020671


