%chk=000033625.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033625

0 1
 O    4.805800      -1.284300       1.378100    
 N  -0.4670000      -2.176400     -0.2606000    
 N    3.053100      -1.114800     -0.1307000    
 N   -6.032900     -0.5059000     -0.6027000    
 C    2.430000      -2.378800      0.1927000    
 C    1.741900      -2.984400      -1.032800    
 C    1.424600      -2.222200       1.335900    
 C   0.4567000      -2.236500      -1.401300    
 C   0.1497000      -1.500100      0.8884000    
 C   -1.709700      -1.506100     -0.6428000    
 C   -2.698500      -1.478900      0.5233000    
 C   -3.993200     -0.8101000      0.1356000    
 C   -4.273200      0.5610000      0.2588000    
 C    4.204800     -0.6707000      0.5001000    
 C   -5.068000      -1.453400     -0.3891000    
 C   -5.575200      0.7335000     -0.2161000    
 C    4.705300      0.6614000      7.3299997E-02
 C   -3.565800       1.687700      0.7229000    
 C   -6.207500       1.981400     -0.2502000    
 C   -4.185600       2.942300      0.6949000    
 C   -5.486200       3.084700      0.2154000    
 C    5.442700       1.412900      0.9646000    
 C    4.416300       1.104200      -1.200600    
 C    5.912200       2.663800      0.5637000    
 C    4.885900       2.355000      -1.601500    
 C    5.633900       3.134800     -0.7193000    
 H    3.223500      -3.062300      0.5190000    
 H    1.494800      -4.033400     -0.8226000    
 H    2.422800      -2.984200      -1.892600    
 H    1.875900      -1.678900       2.175000    
 H    1.155700      -3.218300       1.712100    
 H   0.6955000      -1.230300      -1.768400    
 H  -1.8400000E-02  -2.774500      -2.231000    
 H  -0.4954000      -1.519400       1.770400    
 H   0.3707000     -0.4495000      0.6599000    
 H   -1.512800     -0.4829000     -0.9914000    
 H   -2.169500      -2.043200      -1.482900    
 H   -2.320300     -0.9245000       1.387200    
 H   -2.906600      -2.500700      0.8672000    
 H    2.549100     -0.5001000     -0.7602000    
 H   -5.249700      -2.490200     -0.6354000    
 H   -6.948900     -0.6890000     -0.9885000    
 H   -2.550600       1.595200       1.098300    
 H   -7.220000       2.093300     -0.6233000    
 H   -3.644500       3.814900       1.051100    
 H   -5.948300       4.068500      0.2024000    
 H    5.663700       1.063000       1.968600    
 H    3.868100      0.5146000      -1.928000    
 H    6.493900       3.271400       1.250800    
 H    4.676300       2.718900      -2.603100    
 H    6.000800       4.108000      -1.032000    


%chk=000033625-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000033625

0 1
O 4.712339 -1.302961 1.492922
N -0.459732 -1.955978 -0.186936
N 3.142325 -1.100231 -0.204727
N -6.330873 -0.674360 -0.526596
C 2.461850 -2.370433 0.138243
C 1.671934 -2.895085 -1.082748
C 1.498880 -2.200236 1.343830
C 0.421979 -2.036923 -1.375075
C 0.262246 -1.362700 0.970281
C -1.740423 -1.269332 -0.489925
C -2.847352 -1.564790 0.557900
C -4.170796 -0.938299 0.191715
C -4.512315 0.476180 0.239811
C 4.247753 -0.655028 0.498289
C -5.304634 -1.601077 -0.278224
C -5.872874 0.611133 -0.216023
C 4.872171 0.638883 0.033063
C -3.803982 1.643479 0.634061
C -6.527409 1.860847 -0.290381
C -4.450945 2.892304 0.564712
C -5.797869 3.000354 0.105154
C 5.709243 1.324333 0.950110
C 4.685291 1.177074 -1.267781
C 6.329265 2.537021 0.584893
C 5.310272 2.389267 -1.635339
C 6.128387 3.075868 -0.708337
H 3.258919 -3.081218 0.421365
H 1.337995 -3.924747 -0.859320
H 2.324357 -2.935137 -1.976015
H 2.044666 -1.732927 2.182405
H 1.167835 -3.204727 1.669283
H 0.729868 -1.010675 -1.727325
H -0.148211 -2.490576 -2.206646
H -0.422532 -1.318772 1.834617
H 0.575667 -0.307412 0.746100
H -1.603938 -0.161841 -0.586922
H -2.095849 -1.632071 -1.472923
H -2.527074 -1.197050 1.552671
H -2.946106 -2.662558 0.642592
H 2.717790 -0.502047 -0.914760
H -5.456449 -2.665747 -0.448671
H -7.263024 -0.903520 -0.863073
H -2.770141 1.574678 0.991990
H -7.562509 1.949063 -0.639653
H -3.916712 3.799834 0.867489
H -6.273380 3.986632 0.061027
H 5.862149 0.877172 1.937847
H 4.087939 0.642054 -2.016333
H 6.969772 3.060579 1.303121
H 5.168121 2.791738 -2.644449
H 6.612013 4.016465 -0.994709


