%chk=000016789.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016789

0 1
 O   0.3304000     -0.3551000      0.6254000    
 O  -0.4449000     -0.1953000      -1.573000    
 N   -3.028000     -0.2387000     -0.5179000    
 C   -1.943700     -0.8636000      0.2367000    
 C   -4.326800     -0.6655000      2.7000001E-03
 C   -2.912600       1.218700     -0.4690000    
 C   -2.089700      -2.378200      0.1912000    
 C  -0.6274000     -0.4342000     -0.3861000    
 C    1.587900      3.4699999E-02  0.1586000    
 C    2.477400     -0.9370000     -0.2479000    
 C    1.894700       1.378300      0.1212000    
 C   -4.511600     -0.2252000       1.445000    
 C   -3.996400       1.883500      -1.300600    
 C    2.137000      -2.390400     -0.2033000    
 C   0.9242000       2.423900      0.5628000    
 C    3.733000     -0.5468000     -0.7137000    
 C    3.150300       1.768700     -0.3446000    
 C    4.069300      0.8061000     -0.7620000    
 C    2.516900      -3.033200       1.127300    
 C    1.060000       2.749500       2.047200    
 H   -1.919200     -0.5222000       1.278600    
 H   -5.145200     -0.2697000     -0.6090000    
 H   -4.472000      -1.747400     -8.4299996E-02
 H   -2.891000       1.634300      0.5445000    
 H   -1.977800       1.546700     -0.9336000    
 H   -2.285500      -2.741900     -0.8246000    
 H   -2.872200      -2.749600      0.8600000    
 H   -1.159500      -2.858500      0.5168000    
 H   -4.523800      0.8591000       1.580900    
 H   -3.795000     -0.6679000       2.141100    
 H   -5.497000     -0.5709000       1.782200    
 H   -3.746900       2.940200      -1.450600    
 H   -4.975000       1.862200     -0.8117000    
 H   -4.084100       1.428000      -2.293000    
 H    2.663200      -2.914300      -1.012000    
 H    1.075400      -2.560200     -0.4061000    
 H  -0.1069000       2.129600      0.3509000    
 H    1.081800       3.341100     -1.9200001E-02
 H    4.460100      -1.285800      -1.040000    
 H    3.426700       2.819000     -0.3858000    
 H    5.047400       1.109800      -1.123600    
 H    3.590200      -2.937400       1.323000    
 H    2.267200      -4.098800       1.116700    
 H    1.979300      -2.566600       1.959600    
 H    2.066000       3.112200       2.283800    
 H   0.3433000       3.526800       2.330400    
 H   0.8659000       1.866600       2.665400    


%chk=000016789-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016789

0 1
O 0.413634 -0.170422 0.482588
O -0.443985 -0.422790 -1.688468
N -3.086859 -0.226998 -0.369510
C -1.902158 -0.791715 0.318183
C -4.394585 -0.763651 0.087529
C -3.020376 1.258019 -0.450764
C -1.937492 -2.338895 0.424944
C -0.619889 -0.436767 -0.459630
C 1.739713 0.144304 0.006950
C 2.602383 -0.906558 -0.389026
C 2.125085 1.506721 0.033919
C -4.805926 -0.432013 1.549486
C -4.113131 1.876554 -1.340423
C 2.158965 -2.361144 -0.369621
C 1.169594 2.595504 0.497428
C 3.918535 -0.550022 -0.775354
C 3.451506 1.814009 -0.359018
C 4.343613 0.796257 -0.760880
C 2.116161 -2.953511 1.064629
C 1.036031 2.651785 2.042988
H -1.762708 -0.374095 1.345743
H -5.167220 -0.381110 -0.602502
H -4.386747 -1.858296 -0.054282
H -3.047283 1.735920 0.562668
H -2.040330 1.513877 -0.895128
H -2.124504 -2.783039 -0.568083
H -2.722457 -2.672793 1.124076
H -0.971845 -2.711965 0.808335
H -4.881157 0.658470 1.712398
H -4.081942 -0.835846 2.281546
H -5.793949 -0.874919 1.774410
H -3.902115 2.950216 -1.496643
H -5.120226 1.800401 -0.892764
H -4.127003 1.378735 -2.325918
H 2.856949 -2.956155 -0.987371
H 1.163493 -2.460472 -0.840800
H 0.166545 2.434594 0.059132
H 1.528933 3.572714 0.124310
H 4.608826 -1.340562 -1.093031
H 3.777297 2.860931 -0.352334
H 5.363796 1.051389 -1.067965
H 3.114821 -2.915897 1.535933
H 1.786527 -4.008756 1.042512
H 1.419276 -2.383604 1.704344
H 2.015863 2.844654 2.515966
H 0.342212 3.457186 2.346682
H 0.649526 1.694356 2.433218


