%chk=000052491.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052491

0 1
 O   -2.670000      -2.020300     -0.1229000    
 O    2.673100      -2.016300     -0.1313000    
 O   -2.753800      -4.530100      0.3289000    
 O    2.761800      -4.524900      0.3272000    
 O   -6.350300       4.593400      0.7548000    
 O    6.343300       4.600800      0.7583000    
 N   -2.808900      0.5212000     -0.5870000    
 N    2.807100      0.5262000     -0.5904000    
 C  -0.6978000     -0.7541000     -0.3563000    
 C   0.6986000     -0.7529000     -0.3574000    
 C  -0.6954000      -3.259200      9.8099999E-02
 C   0.7010000      -3.258100      9.7400002E-02
 C   -1.397100      0.4394000     -0.5725000    
 C    1.395700      0.4416000     -0.5747000    
 C   -1.445900      -2.007200     -0.1283000    
 C    1.449100      -2.004900     -0.1308000    
 C  -0.6986000       1.627700     -0.7882000    
 C   0.6949000       1.628800     -0.7895000    
 C   -1.392500      -4.453800      0.3151000    
 C    1.400500      -4.451300      0.3142000    
 C  -0.6917000      -5.640800      0.5304000    
 C   0.7018000      -5.639600      0.5303000    
 C   -3.704500       1.550300     -0.2479000    
 C    3.701200       1.556400     -0.2499000    
 C   -4.939500       1.647700     -0.8936000    
 C    4.936200       1.656200     -0.8952000    
 C   -3.363200       2.481400      0.7365000    
 C    3.359000       2.484900      0.7365000    
 C   -5.827400       2.669600     -0.5576000    
 C    5.823400       2.677700     -0.5564000    
 C   -4.251200       3.503300       1.072700    
 C    4.246100       3.506600       1.075300    
 C   -5.483500       3.597300      0.4257000    
 C    5.478500       3.603100      0.4288000    
 H   -1.206300       2.565300     -0.9974000    
 H    1.200800       2.567300     -0.9992000    
 H   -3.261600     -0.3094000     -0.9566000    
 H    3.261300     -0.3030000     -0.9611000    
 H   -1.216500      -6.577400      0.7005000    
 H    1.237700      -6.569900      0.6991000    
 H   -5.219600      0.9317000      -1.662300    
 H    5.216900      0.9420000      -1.665400    
 H   -2.422300       2.419000       1.276600    
 H    2.418100       2.420600       1.276400    
 H   -3.028600      -5.447800      0.4956000    
 H    3.155700      -3.653700      0.1723000    
 H   -6.785800       2.737700      -1.065100    
 H    6.780100       2.742100      -1.067800    
 H   -3.973900       4.216300       1.844500    
 H    3.974200       4.221200       1.847400    
 H   -5.950500       5.141800       1.451600    
 H    7.144400       4.516100      0.2133000    


%chk=000052491-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052491

0 1
O -2.791614 -2.045268 -0.160521
O 2.753457 -2.075941 -0.132107
O -2.793899 -4.662911 0.178027
O 2.823080 -4.530551 0.103066
O -6.582176 4.692311 0.311360
O 6.510636 4.721588 0.362709
N -2.836086 0.482563 -0.228128
N 2.821810 0.465106 -0.218472
C -0.737710 -0.782797 -0.169636
C 0.708513 -0.777572 -0.169675
C -0.747805 -3.320793 0.030084
C 0.693275 -3.298636 0.020226
C -1.452264 0.469031 -0.241445
C 1.438355 0.468651 -0.241392
C -1.490887 -2.049586 -0.101068
C 1.418384 -2.039404 -0.097766
C -0.695119 1.680831 -0.414086
C 0.690182 1.682881 -0.413454
C -1.398336 -4.584447 0.152814
C 1.449990 -4.519058 0.118949
C -0.629963 -5.778749 0.256348
C 0.768808 -5.755568 0.238709
C -3.708644 1.591125 -0.085385
C 3.708940 1.566366 -0.092430
C -4.966412 1.541123 -0.751648
C 4.962335 1.492910 -0.757163
C -3.428497 2.702569 0.755307
C 3.439942 2.693866 0.734725
C -5.906823 2.574595 -0.602261
C 5.914580 2.521918 -0.619423
C -4.363553 3.748156 0.898167
C 4.382063 3.729624 0.864988
C -5.602172 3.688146 0.215498
C 5.619352 3.649733 0.184404
H -1.231732 2.613817 -0.606404
H 1.226619 2.615930 -0.604005
H -3.222452 -0.504027 -0.257844
H 3.208335 -0.513335 -0.237663
H -1.150175 -6.741371 0.352084
H 1.359611 -6.671908 0.315848
H -5.194616 0.684156 -1.394400
H 5.182100 0.627629 -1.391695
H -2.499798 2.732390 1.333041
H 2.511171 2.740810 1.310974
H -3.071656 -5.611044 0.274585
H 3.111960 -3.526686 0.002017
H -6.872847 2.541040 -1.113859
H 6.876223 2.447067 -1.142958
H -4.132868 4.595074 1.557485
H 4.185527 4.594779 1.504735
H -6.283860 5.421948 0.908970
H 7.350818 4.571919 -0.137534


