%chk=000006168.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006168

0 1
 O   -1.114500       1.661600      -1.552900    
 O    1.961600       1.450200     -8.8299997E-02
 N   -1.217000      -1.329000     -0.2263000    
 N   0.8842000      -1.980900      7.7200003E-02
 N   -1.340700       1.843000      0.7343000    
 N    3.227200     -0.4538000      0.2084000    
 C  -0.4649000     -0.1882000     -0.2447000    
 C   -2.648900      -1.425700     -0.3833000    
 C   0.8281000     -0.6160000     -5.5000000E-02
 C  -0.3639000      -2.379200     -3.0300001E-02
 C  -0.9704000       1.136000     -0.4255000    
 C   -3.380300      -1.335500      0.9452000    
 C    2.001100      0.2042000      5.2000000E-03
 C   -1.894400       3.178000      0.7150000    
 C    4.492800      0.2352000      0.3210000    
 H   -2.978500     -0.6319000      -1.061800    
 H   -2.866700      -2.382500     -0.8713000    
 H  -0.7048000      -3.404000      2.6600000E-02
 H   -3.066100      -2.135400       1.624000    
 H   -4.459800      -1.425000      0.7899000    
 H   -3.186800     -0.3805000       1.443800    
 H   -1.243400       1.384700       1.635800    
 H    3.227600      -1.464600      0.3123000    
 H   -1.810900       3.606100       1.716300    
 H   -2.945300       3.113100      0.4223000    
 H   -1.351400       3.794800     -5.7000001E-03
 H    4.551700       1.029000     -0.4280000    
 H    5.298700     -0.4862000      0.1699000    
 H    4.563200      0.6706000       1.320900    


%chk=000006168-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006168

0 1
O -2.723676 1.135696 -0.166063
O 1.868184 1.617282 0.553678
N -1.307562 -1.391560 -0.311297
N 0.894645 -1.871249 -0.089468
N -0.725967 2.249841 0.280243
N 3.064633 -0.379474 0.405359
C -0.672721 -0.160950 -0.044414
C -2.756804 -1.683987 -0.485435
C 0.702188 -0.490515 0.087048
C -0.328343 -2.373756 -0.323418
C -1.452769 1.121406 0.019545
C -3.491631 -1.808947 0.862177
C 1.902138 0.344383 0.365362
C -1.387797 3.555388 0.353080
C 4.371790 0.221162 0.666731
H -3.199408 -0.867015 -1.072937
H -2.816382 -2.628137 -1.057580
H -0.555839 -3.420770 -0.508758
H -3.034253 -2.582382 1.505109
H -4.546105 -2.085045 0.681960
H -3.478456 -0.840311 1.387025
H 0.312691 2.168493 0.425604
H 2.956022 -1.388087 0.241360
H -0.632200 4.348116 0.228553
H -1.901057 3.698197 1.323868
H -2.152300 3.640313 -0.438256
H 4.230609 1.306200 0.793360
H 5.065334 0.044801 -0.176156
H 4.822537 -0.190995 1.588723


