%chk=000002198.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002198

0 1
 O    3.516100      -2.561300     -0.7385000    
 O   0.1930000      0.3534000     -0.8405000    
 O  -0.8471000     -0.3246000       1.099100    
 O   -1.004400       2.983200     -0.6849000    
 N    4.059900      0.8805000      0.1779000    
 C    3.933800     -0.1342000     -0.8869000    
 C    3.309000      0.2714000       1.292800    
 C    4.191500      -1.461600     -0.1584000    
 C    3.708800      -1.211600       1.274400    
 C    2.503000      1.0200000E-02  -1.446800    
 C    1.816900      0.4649000      0.9596000    
 C    1.423200     -0.1881000     -0.3734000    
 C    5.446600       1.178100      0.5258000    
 C  -0.8795000      0.2175000      1.8000000E-03
 C   -2.119900      0.8375000     -0.6353000    
 C   -3.375500      7.7699997E-02 -0.2378000    
 C   -2.207500       2.331000     -0.2898000    
 C   -3.794500     -0.9780000      -1.022900    
 C   -4.060300      0.4648000      0.8969000    
 C   -4.946300      -1.675200     -0.6583000    
 C   -5.211800     -0.2328000       1.261400    
 C   -5.654800      -1.302700      0.4838000    
 H    4.645000      2.2100000E-02  -1.706300    
 H    3.523400      0.7443000       2.257900    
 H    5.263900      -1.690800     -0.1536000    
 H    4.544300      -1.376700       1.965600    
 H    2.892700      -1.875200       1.579100    
 H    2.387700       1.004400      -1.900800    
 H    2.336500     -0.7014000      -2.265200    
 H    1.249000      4.7200002E-02   1.796200    
 H    1.579300       1.537400      0.9363000    
 H    1.278800      -1.265800     -0.2248000    
 H    6.014800      0.3103000      0.8756000    
 H    5.478500       1.940100       1.312400    
 H    5.969200       1.599500     -0.3400000    
 H    3.689800      -3.339100     -0.1814000    
 H   -2.000600      0.7495000      -1.724800    
 H   -2.288000       2.513200      0.7848000    
 H   -3.051900       2.816800     -0.7903000    
 H   -3.247600      -1.276800      -1.912000    
 H   -3.739000       1.270600       1.545400    
 H  -0.9081000       2.861400      -1.644800    
 H   -5.290600      -2.509100      -1.263000    
 H   -5.760600      5.2600000E-02   2.154200    
 H   -6.550600      -1.846800      0.7687000    


%chk=000002198-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000002198

0 1
O 3.164859 -2.718403 0.265429
O 0.165688 0.292330 -0.596922
O -0.870373 -0.133245 1.452171
O -1.215769 3.161752 0.192195
N 4.265954 0.730459 -0.334353
C 3.854650 -0.612574 -0.848764
C 3.614462 0.743568 1.019441
C 4.103182 -1.589158 0.358935
C 3.914967 -0.678122 1.620498
C 2.359358 -0.535666 -1.248610
C 2.100424 0.987462 0.808168
C 1.491763 -0.152837 -0.038690
C 5.728662 0.962859 -0.309256
C -0.919687 0.281398 0.270101
C -2.140916 0.898321 -0.415117
C -3.403926 0.040981 -0.337544
C -2.399631 2.297211 0.229383
C -4.167504 -0.180032 -1.511801
C -3.868197 -0.491664 0.893660
C -5.373276 -0.915530 -1.462512
C -5.072108 -1.228589 0.941915
C -5.830886 -1.441042 -0.232726
H 4.457244 -0.890658 -1.729871
H 4.037977 1.556649 1.633786
H 5.141521 -1.977860 0.316686
H 4.830392 -0.655353 2.238216
H 3.085804 -1.043236 2.253406
H 2.264810 0.240701 -2.028439
H 2.020137 -1.501621 -1.658198
H 1.574693 1.059236 1.776566
H 1.976529 1.945803 0.273523
H 1.301713 -1.040143 0.589357
H 6.311791 0.261786 0.336651
H 5.922845 1.989941 0.047579
H 6.123155 0.883941 -1.337866
H 3.359712 -3.362626 0.991168
H -1.872655 1.053505 -1.476749
H -2.632263 2.182911 1.300160
H -3.263675 2.769196 -0.282477
H -3.813890 0.220692 -2.470246
H -3.269211 -0.349320 1.798956
H -0.909696 3.256703 -0.745580
H -5.950060 -1.080100 -2.379685
H -5.417401 -1.639468 1.897448
H -6.765067 -2.012356 -0.190790


