%chk=000116119.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116119

0 1
 O    3.339300      -2.286600      0.2354000    
 N   -1.545200      -1.315800      2.7899999E-02
 N    1.301800      -1.263600     -0.2813000    
 C  -0.7992000     -6.5300003E-02  0.2298000    
 C  -0.7299000      -2.471000      0.4308000    
 C   0.5051000     -6.6100001E-02 -0.5706000    
 C   0.5665000      -2.522700     -0.3759000    
 C   -2.802900      -1.289700      0.7735000    
 C    2.671400      -1.282400     -7.1000000E-03
 C   -3.689500     -0.1532000      0.3386000    
 C    3.397300     -5.2999998E-03 -1.1400000E-02
 C   -3.584200       1.076800      0.9727000    
 C   -4.599600     -0.3514000     -0.6902000    
 C    3.506400      0.7345000       1.163200    
 C    3.974100      0.4583000      -1.190900    
 C   -4.405600       2.129800      0.5699000    
 C   -5.421000      0.7015000      -1.093100    
 C   -5.324000       1.942200     -0.4630000    
 C    4.197300       1.946100       1.158400    
 C    4.665100       1.670000      -1.195600    
 C    4.776800       2.414000     -2.1000000E-02
 H  -0.5747000      9.0899996E-02   1.293300    
 H   -1.346700      0.8049000     -0.1405000    
 H   -1.283200      -3.401300      0.2555000    
 H  -0.4939000      -2.422600       1.502200    
 H   0.2934000     -7.7900000E-02  -1.647100    
 H    1.060900      0.8501000     -0.3599000    
 H    1.184500      -3.358400     -3.1800002E-02
 H   0.3515000      -2.691800      -1.438300    
 H   -2.626100      -1.223900       1.856400    
 H   -3.346500      -2.231800      0.6202000    
 H   -2.885200       1.234600       1.789300    
 H   -4.682300      -1.312900      -1.189300    
 H    3.057800      0.3787000       2.087000    
 H    3.892600     -0.1138000      -2.111300    
 H   -4.332600       3.094700       1.062800    
 H   -6.135900      0.5556000      -1.897600    
 H   -5.964100       2.761900     -0.7762000    
 H    4.283900       2.525500       2.072900    
 H    5.116100       2.034400      -2.114000    
 H    5.314600       3.357400     -2.4800001E-02


%chk=000116119-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116119

0 1
O 3.069607 -2.242285 0.789390
N -1.536305 -1.130158 0.254256
N 1.294355 -1.197333 -0.302728
C -0.727737 0.111004 0.305584
C -0.719850 -2.302435 0.656183
C 0.496171 0.004573 -0.629942
C 0.498912 -2.445240 -0.275171
C -2.798535 -1.025098 1.025247
C 2.592252 -1.210648 0.209602
C -3.802996 -0.056841 0.406957
C 3.454991 0.015534 0.026312
C -4.608932 0.766204 1.230787
C -3.981657 -0.002868 -0.999048
C 4.303441 0.396151 1.096979
C 3.542165 0.711517 -1.207782
C -5.583984 1.620879 0.665570
C -4.950557 0.852926 -1.566857
C -5.758336 1.666475 -0.736371
C 5.195638 1.479422 0.951298
C 4.449623 1.783255 -1.359722
C 5.270133 2.177706 -0.277556
H -0.372472 0.323437 1.347181
H -1.356339 0.959947 -0.017632
H -1.342353 -3.213541 0.581086
H -0.360228 -2.217131 1.712627
H 0.140044 -0.064474 -1.677274
H 1.116689 0.906796 -0.524774
H 1.159801 -3.256054 0.070598
H 0.146700 -2.660625 -1.302985
H -2.615597 -0.733770 2.091186
H -3.243448 -2.040736 1.050320
H -4.473572 0.739671 2.319664
H -3.344089 -0.632042 -1.630363
H 4.264276 -0.179711 2.027399
H 2.926875 0.394513 -2.057770
H -6.200349 2.251425 1.316520
H -5.079339 0.885741 -2.655008
H -6.511320 2.329427 -1.177365
H 5.839550 1.772070 1.787977
H 4.520997 2.303873 -2.321154
H 5.969877 3.012846 -0.394320


