%chk=000060416.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060416

0 1
 O    2.817200      -1.002000      0.1926000    
 O    1.301000      -1.066600       1.927400    
 N  -0.7636000     -0.5175000      0.2418000    
 N   -2.550400       2.321500       1.863200    
 C   0.5685000     -0.5168000     -0.3277000    
 C   -1.073700      0.4567000       1.286000    
 C   -2.209000       1.360300      0.8220000    
 C   0.8516000      0.8241000     -0.9651000    
 C   -1.733400      -1.433300     -0.1812000    
 C    1.573100     -0.8829000      0.7477000    
 C    1.471600       1.831200     -0.2253000    
 C   0.4922000       1.054900      -2.293000    
 C   -1.721000      -1.905700      -1.493600    
 C   -2.712400      -1.874100      0.7093000    
 C   -3.909600       2.830300       1.669900    
 C   -1.591900       3.428200       1.878300    
 C    1.732500       3.068800     -0.8137000    
 C   0.7533000       2.292400      -2.881300    
 C    3.863500      -1.373600       1.095400    
 C   -2.687400      -2.819000      -1.915300    
 C   -3.678700      -2.787400      0.2878000    
 C    1.373200       3.299200      -2.141700    
 C   -3.666200      -3.259800      -1.024500    
 C    5.171100      -1.461400      0.3233000    
 C    6.328800      -1.867300       1.217500    
 H   0.7072000      -1.303600      -1.079500    
 H  -0.2021000       1.048800       1.565400    
 H   -1.344700     -5.5799998E-02   2.217800    
 H   -1.956700       1.861000     -0.1224000    
 H   -3.093000      0.7511000      0.6036000    
 H    1.776600       1.689300      0.8071000    
 H   1.6799999E-02  0.2844000      -2.890500    
 H  -0.9994000      -1.580500      -2.232900    
 H   -2.751000      -1.551400       1.744600    
 H   -4.640100       2.015500       1.727000    
 H   -4.027400       3.335400      0.7043000    
 H   -4.172700       3.538000       2.464200    
 H  -0.5814000       3.089900       2.125500    
 H   -1.861900       4.153000       2.655300    
 H   -1.555500       3.959500      0.9200000    
 H    2.216900       3.852500     -0.2386000    
 H   0.4754000       2.471400      -3.915800    
 H    3.624700      -2.344700       1.544500    
 H    3.942900     -0.6190000       1.886800    
 H   -2.681500      -3.183600      -2.938500    
 H   -4.438500      -3.134400      0.9820000    
 H    1.577100       4.262600      -2.600000    
 H   -4.418800      -3.970700      -1.352900    
 H    5.384800     -0.4947000     -0.1483000    
 H    5.065400      -2.180100     -0.4981000    
 H    6.475200      -1.141200       2.023500    
 H    6.151500      -2.849400       1.667400    
 H    7.255100      -1.922000      0.6372000    


%chk=000060416-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060416

0 1
O 2.734134 -1.195607 -0.082107
O 2.109596 0.179691 1.692189
N -0.526865 -0.083158 0.182039
N -3.169361 2.261788 1.531689
C 0.792205 0.194073 -0.430587
C -1.096168 0.897470 1.128644
C -2.229595 1.757654 0.502829
C 0.935389 1.648190 -0.903704
C -1.137631 -1.350285 0.026761
C 1.929057 -0.232625 0.521761
C 1.616388 2.645552 -0.163230
C 0.340097 1.998686 -2.143436
C -0.482255 -2.435125 -0.637218
C -2.452837 -1.585530 0.540737
C -4.406171 2.805434 0.933702
C -2.541468 3.225893 2.460186
C 1.697306 3.969146 -0.655739
C 0.421858 3.318096 -2.636008
C 3.862420 -1.736047 0.741964
C -1.132745 -3.674541 -0.809373
C -3.081846 -2.834741 0.368566
C 1.102514 4.310390 -1.890882
C -2.438721 -3.891776 -0.315387
C 4.498665 -2.873913 -0.056465
C 5.691421 -3.492637 0.706744
H 0.878203 -0.439443 -1.328320
H -0.276675 1.533328 1.499638
H -1.508657 0.364903 2.006296
H -1.778254 2.584560 -0.101422
H -2.802810 1.122718 -0.196555
H 2.078946 2.391258 0.796341
H -0.193344 1.232103 -2.718801
H 0.548923 -2.340127 -0.988968
H -2.992206 -0.795545 1.071248
H -4.885231 2.034010 0.304617
H -4.232932 3.711512 0.298339
H -5.114958 3.083064 1.734905
H -1.685941 2.758575 2.976581
H -3.274468 3.527864 3.229535
H -2.173167 4.151017 1.946306
H 2.226741 4.731559 -0.073301
H -0.039217 3.571651 -3.597087
H 3.453201 -2.076666 1.710698
H 4.573043 -0.910875 0.935341
H -0.599586 -4.483723 -1.322755
H -4.090801 -2.977778 0.773362
H 1.170538 5.335599 -2.271785
H -2.935672 -4.858149 -0.449168
H 4.833147 -2.487319 -1.037229
H 3.732754 -3.646280 -0.256816
H 6.481611 -2.742210 0.895900
H 5.374862 -3.904387 1.683127
H 6.141765 -4.315795 0.124797


