%chk=000054526.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054526

0 1
 O  -0.1442000      -1.979900     -0.4644000    
 O    1.733900       1.671700     -0.9022000    
 O    1.458200      -2.939400      0.8555000    
 N   -2.956800      -1.527900     -0.4307000    
 N    1.843700     -0.9477000     -0.3129000    
 C   -3.856900      -1.039200      -1.482200    
 C   -3.599300      -1.690400      0.8806000    
 C   -4.484900      0.3348000      -1.228800    
 C   -3.793400     -0.3525000       1.593500    
 C   -5.581600      0.3048000     -0.1722000    
 C   -5.084200      0.3896000       1.264800    
 C   -2.357400      -2.798200     -0.8553000    
 C   -1.038200      -3.035700     -0.1378000    
 C  -0.4038000       2.719400      -1.161700    
 C  -0.3521000       3.311800      0.2448000    
 C    1.105600      -2.038400      0.1042000    
 C   0.9896000       2.538700      -1.747200    
 C   -1.752300       3.450600      0.8415000    
 C    3.779300      0.5326000     -0.4838000    
 C    3.174500     -0.6154000      2.8500000E-02
 C    3.043200       1.447700      -1.407800    
 C   -1.702800       4.008600       2.255000    
 C    5.093700      0.8432000     -0.1349000    
 C    3.884300      -1.452600      0.8893000    
 C    5.803300      6.0000001E-03  0.7261000    
 C    5.198600      -1.141900       1.238100    
 H   -3.278200     -0.9390000      -2.410200    
 H   -4.647600      -1.773700      -1.686400    
 H   -2.962500      -2.283000       1.545600    
 H   -4.544500      -2.243100      0.8042000    
 H   -3.717600       1.078500     -0.9827000    
 H   -4.938900      0.6638000      -2.172600    
 H   -3.776300     -0.5243000       2.677900    
 H   -2.931800      0.2968000       1.394200    
 H   -6.261500       1.149400     -0.3417000    
 H   -6.193000     -0.5977000     -0.2971000    
 H   -5.883800      2.3000000E-02   1.921300    
 H   -4.944200       1.444700       1.533400    
 H   -2.128400      -2.760900      -1.928700    
 H   -3.043200      -3.641100     -0.7030000    
 H   -1.152800      -3.109100      0.9480000    
 H  -0.6114000      -3.981000     -0.4950000    
 H  -0.9014000       1.742500      -1.115700    
 H  -0.9971000       3.363100      -1.820900    
 H   0.2520000       2.674400      0.9015000    
 H   0.1345000       4.294300      0.2131000    
 H    1.495600       3.508000      -1.824800    
 H   0.9107000       2.100300      -2.748600    
 H   -2.249800       2.475700      0.8575000    
 H   -2.359700       4.112900      0.2137000    
 H    2.991500      0.9901000      -2.403400    
 H    3.559100       2.411600      -1.493900    
 H    1.365700     -0.3130000     -0.9458000    
 H   -2.715000       4.101600       2.660800    
 H   -1.131000       3.350200       2.916800    
 H   -1.238000       4.999500       2.269600    
 H    5.580400       1.732600     -0.5263000    
 H    3.489400      -2.357700       1.327900    
 H    6.826800      0.2475000      0.9974000    
 H    5.752500      -1.793000       1.908400    


%chk=000054526-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054526

0 1
O -0.021404 -1.845647 -0.250583
O 1.768790 1.645144 -0.769750
O 1.733644 -3.194317 0.575422
N -3.017287 -1.474967 -0.388021
N 2.035899 -0.953128 -0.163989
C -3.751149 -0.886462 -1.534307
C -3.845467 -1.708514 0.826316
C -4.419950 0.478889 -1.255806
C -4.136112 -0.411510 1.617480
C -5.674560 0.401854 -0.350462
C -5.386882 0.396692 1.174745
C -2.240808 -2.675414 -0.785695
C -0.992515 -2.917203 0.066193
C -0.521360 2.439699 -0.976820
C -0.499912 3.300592 0.306037
C 1.321395 -2.101231 0.106628
C 0.841008 2.356032 -1.673486
C -1.875598 3.366981 1.007388
C 3.939802 0.519628 -0.474019
C 3.414884 -0.707760 0.045200
C 3.108070 1.422450 -1.365727
C -1.856577 4.243333 2.278129
C 5.292961 0.840185 -0.227044
C 4.261595 -1.600604 0.751929
C 6.138428 -0.040432 0.484868
C 5.615643 -1.264103 0.960871
H -3.016798 -0.759281 -2.353323
H -4.547219 -1.582715 -1.916510
H -3.274412 -2.390164 1.483204
H -4.800555 -2.239601 0.576273
H -3.671509 1.176090 -0.831759
H -4.720197 0.890931 -2.240438
H -4.249723 -0.662239 2.691118
H -3.226452 0.212573 1.533920
H -6.347714 1.253017 -0.573916
H -6.241072 -0.511608 -0.627199
H -6.284167 0.006378 1.695786
H -5.259034 1.440868 1.524685
H -1.911081 -2.550002 -1.833174
H -2.860667 -3.608582 -0.754467
H -1.209519 -2.883042 1.150152
H -0.536500 -3.897643 -0.165642
H -0.866911 1.412959 -0.739758
H -1.249520 2.863972 -1.699112
H 0.254644 2.889969 1.003771
H -0.168789 4.330125 0.052225
H 1.247012 3.369570 -1.883838
H 0.768042 1.798485 -2.633713
H -2.197183 2.338255 1.270388
H -2.632855 3.758500 0.296239
H 2.964483 0.951988 -2.366528
H 3.616498 2.396577 -1.511277
H 1.494417 -0.112711 -0.440988
H -2.848139 4.272417 2.766512
H -1.127898 3.854770 3.014102
H -1.566926 5.283929 2.037924
H 5.692187 1.788287 -0.608511
H 3.848846 -2.542023 1.121770
H 7.185928 0.224234 0.662521
H 6.260746 -1.960272 1.508565


