%chk=000093676.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093676

0 1
 O   8.6000003E-02  9.6000001E-02 -0.7328000    
 N    2.354200     -0.6328000     -0.6780000    
 N   -2.286700      0.6198000     -0.6637000    
 C    1.208400     -0.2789000      -1.535500    
 C   -1.086600      0.4003000      -1.497800    
 C    2.200300      -1.674200      0.2702000    
 C    3.397400      0.3345000     -0.6854000    
 C   -2.292400       1.726600      0.2252000    
 C   -3.259600     -0.4133000     -0.7072000    
 C    3.121400      -1.808200       1.304800    
 C    4.570500      7.1300000E-02  -1.380600    
 C   -3.318300       1.857600       1.154400    
 C   -4.373400     -0.2751000      -1.527600    
 C    1.128900      -2.555500      0.1612000    
 C    3.229000       1.529400      1.7000000E-03
 C   -1.271800       2.668300      0.1587000    
 C   -3.088600      -1.553000      7.0299998E-02
 C    2.969700      -2.832900       2.238900    
 C    5.593200       1.019900      -1.388800    
 C   -3.323700       2.944600       2.028400    
 C   -5.329100      -1.290400      -1.571100    
 C   0.9769000      -3.580100       1.095400    
 C    4.251600       2.478100     -6.3999998E-03
 C   -1.277100       3.755200       1.032800    
 C   -4.044100      -2.568200      2.6699999E-02
 C    1.897500      -3.718800       2.134300    
 C    5.433800       2.223200     -0.7017000    
 C   -2.303100       3.893400       1.967700    
 C   -5.164400      -2.436800     -0.7940000    
 H    1.453900      0.5589000      -2.202400    
 H   0.9495000      -1.121600      -2.189000    
 H  -0.8986000       1.268600      -2.142700    
 H   -1.267100     -0.4375000      -2.185800    
 H    3.968700      -1.139000       1.420700    
 H    4.703100     -0.8630000      -1.919300    
 H   -4.129700       1.140400       1.232900    
 H   -4.510000      0.6140000      -2.137300    
 H   0.3929000      -2.506600     -0.6340000    
 H    2.313200       1.738300      0.5483000    
 H  -0.4524000       2.622900     -0.5497000    
 H   -2.219800      -1.665200      0.7135000    
 H    3.686200      -2.941300       3.047900    
 H    6.513700      0.8216000      -1.930200    
 H   -4.122400       3.052600       2.756500    
 H   -6.201200      -1.188100      -2.210200    
 H   0.1439000      -4.272200       1.012500    
 H    4.127500       3.414900      0.5289000    
 H  -0.4837000       4.495400      0.9851000    
 H   -3.915800      -3.461000      0.6318000    
 H    1.779700      -4.517100       2.861200    
 H    6.230000       2.961800     -0.7079000    
 H   -2.307500       4.739900       2.648100    
 H   -5.908400      -3.227400     -0.8279000    


%chk=000093676-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093676

0 1
O 0.019364 -0.066233 -0.758711
N 2.310232 -0.778484 -0.615968
N -2.241796 0.734425 -0.903260
C 1.272074 -0.358652 -1.521700
C -1.124917 0.242437 -1.669293
C 2.412324 -2.172815 -0.270589
C 3.037418 0.221024 0.110966
C -2.318628 2.140847 -0.604725
C -3.094343 -0.211061 -0.243430
C 2.470624 -2.577482 1.089788
C 4.363312 -0.044005 0.554862
C -2.534141 2.585746 0.727224
C -4.452755 0.119445 0.022557
C 2.439428 -3.165148 -1.286273
C 2.473055 1.505079 0.344681
C -2.164619 3.105337 -1.635849
C -2.617794 -1.506283 0.098906
C 2.552666 -3.945756 1.421868
C 5.105207 0.958178 1.211773
C -2.594130 3.964897 1.016096
C -5.311903 -0.829379 0.612171
C 2.503855 -4.533937 -0.945738
C 3.234840 2.506478 0.985551
C -2.208368 4.484379 -1.336270
C -3.494801 -2.454422 0.669997
C 2.563566 -4.934122 0.408983
C 4.551454 2.243644 1.426322
C -2.426156 4.924548 -0.010390
C -4.843741 -2.126240 0.934319
H 1.583874 0.563332 -2.055205
H 1.062025 -1.161119 -2.254637
H -0.799334 1.007717 -2.400421
H -1.414133 -0.685315 -2.204438
H 2.439829 -1.817738 1.877062
H 4.809367 -1.026861 0.371235
H -2.642160 1.847908 1.528417
H -4.831331 1.111127 -0.245788
H 2.436655 -2.868028 -2.341260
H 1.431154 1.693162 0.067729
H -2.038268 2.779987 -2.674708
H -1.558435 -1.744115 -0.039902
H 2.591077 -4.241250 2.476505
H 6.126510 0.738318 1.543547
H -2.755890 4.290479 2.049948
H -6.356247 -0.559003 0.806443
H 2.525821 -5.286706 -1.741912
H 2.783786 3.490017 1.160383
H -2.090184 5.215040 -2.144511
H -3.110872 -3.447565 0.930113
H 2.620323 -5.996012 0.671050
H 5.134329 3.020934 1.932000
H -2.466767 5.994761 0.218663
H -5.516853 -2.862215 1.386921


