%chk=000070668.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070668

0 1
 O   -2.399600       2.911200      -1.136100    
 N    1.286800     -0.1321000     -0.7243000    
 N   -1.949700      0.4043000       1.008200    
 N   -2.205300       3.171700       1.141800    
 C   -1.186700       1.253700      9.3300000E-02
 C   0.1925000       1.587600      0.6811000    
 C   -1.013400      0.5898000      -1.280900    
 C    1.158000      0.3983000      0.6395000    
 C  -1.1700000E-02 -0.5691000      -1.253600    
 C   -1.992800       2.514400     -4.6900000E-02
 C    2.249900      -1.232600     -0.7570000    
 C   -2.910000     -0.4977000      0.5900000    
 C    3.617600     -0.7947000     -0.3047000    
 C   -2.780700      -1.873900      0.8640000    
 C   -4.047600     -6.8700001E-02 -0.1222000    
 C    4.524300     -0.3124000      -1.238400    
 C    3.952600     -0.8798000       1.039300    
 C   -3.749900      -2.784300      0.4429000    
 C   -5.017000     -0.9790000     -0.5432000    
 C    5.791600      9.2900001E-02 -0.8194000    
 C    5.219900     -0.4744000       1.458400    
 C   -4.868000      -2.336900     -0.2608000    
 C    6.139300      1.1800000E-02  0.5289000    
 H   0.1133000       1.925000       1.722500    
 H   0.6370000       2.423900      0.1228000    
 H  -0.6224000       1.335700      -1.989800    
 H   -1.952500      0.2514000      -1.730100    
 H    2.101900      0.8077000       1.008000    
 H   0.8264000     -0.3789000       1.340000    
 H  -0.4055000      -1.410500     -0.6735000    
 H   0.1155000     -0.9250000      -2.283600    
 H   -1.458100      0.1285000       1.854200    
 H    2.333500      -1.625800      -1.779200    
 H    1.912100      -2.078700     -0.1420000    
 H   -2.728400       4.040600       1.168200    
 H   -1.890500       2.806400       2.034500    
 H   -1.914600      -2.240000       1.411500    
 H   -4.203400      0.9832000     -0.3435000    
 H    4.263200     -0.2431000      -2.290700    
 H    3.253700      -1.271400       1.773100    
 H   -3.634000      -3.841500      0.6627000    
 H   -5.889800     -0.6305000      -1.087700    
 H    6.507400      0.4719000      -1.543000    
 H    5.492100     -0.5408000       2.507700    
 H   -5.623200      -3.045600     -0.5879000    
 H    7.126300      0.3266000      0.8550000    


%chk=000070668-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000070668

0 1
O -1.661409 3.193769 -1.252789
N 1.452035 -0.256711 -0.555951
N -1.907648 0.209735 0.888715
N -2.788313 2.795781 0.744381
C -1.149374 1.103285 -0.023779
C 0.188132 1.482482 0.692379
C -0.793839 0.447522 -1.389509
C 1.172273 0.299343 0.783212
C 0.207622 -0.708443 -1.225419
C -1.904894 2.451932 -0.254649
C 2.500391 -1.302799 -0.534974
C -3.081271 -0.506986 0.556946
C 3.887112 -0.759134 -0.201648
C -3.431228 -1.645780 1.340822
C -3.960502 -0.109270 -0.492024
C 4.314172 0.490718 -0.718299
C 4.787154 -1.517907 0.585828
C -4.618005 -2.360524 1.085729
C -5.142231 -0.839458 -0.741446
C 5.616929 0.968010 -0.455829
C 6.094273 -1.044969 0.846321
C -5.485298 -1.966975 0.038552
C 6.513745 0.200429 0.325397
H -0.030153 1.873203 1.705010
H 0.662189 2.290963 0.109433
H -0.367674 1.233937 -2.035119
H -1.705628 0.068646 -1.883383
H 2.120099 0.652746 1.226915
H 0.776837 -0.496424 1.476082
H -0.276951 -1.548769 -0.661327
H 0.473436 -1.100127 -2.224871
H -1.334171 -0.232049 1.611979
H 2.524094 -1.754340 -1.547486
H 2.251685 -2.134195 0.174828
H -3.289531 3.680780 0.685253
H -2.989243 2.122130 1.484727
H -2.764374 -1.966463 2.152391
H -3.740361 0.771329 -1.102117
H 3.606040 1.077720 -1.314040
H 4.464894 -2.483070 0.997472
H -4.863162 -3.232085 1.703642
H -5.802812 -0.515824 -1.554118
H 5.934620 1.935955 -0.860447
H 6.780187 -1.643466 1.456814
H -6.405031 -2.525736 -0.162394
H 7.525287 0.570285 0.527889


