%chk=000016864.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016864

0 1
 O    1.575400      0.5458000      0.3876000    
 O    3.670900       1.241200     -0.2793000    
 C   -2.859900       1.841700      0.3460000    
 C   -3.655300      0.5625000      5.4000001E-02
 C   -1.419100       1.783100     -0.1164000    
 C    3.251000      -1.111700      0.1842000    
 C  -0.3463000       1.897500      0.6907000    
 C   -3.059400     -0.6515000      0.7116000    
 C    1.099200       1.882500      0.3075000    
 C   -1.229600       1.615900      -1.602400    
 C   -2.696100      -1.813800      0.1373000    
 C    2.894400      0.3596000      6.4599998E-02
 C    2.985800      -1.814900      -1.141700    
 C    4.706200      -1.282900      0.6123000    
 C   -2.119500      -2.926400      0.9719000    
 C   -2.797900      -2.128600      -1.328000    
 H   -3.354300       2.690400     -0.1430000    
 H   -2.897700       2.049900       1.423400    
 H   -3.779900      0.4431000      -1.024700    
 H   -4.668400      0.6930000      0.4552000    
 H    2.621600      -1.554100      0.9665000    
 H  -0.5311000       2.008800       1.758300    
 H   -2.937300     -0.5580000       1.790400    
 H    1.651000       2.505300       1.022600    
 H    1.279800       2.300400     -0.6872000    
 H   -1.734200       2.430000      -2.134100    
 H   -1.660300      0.6696000      -1.942000    
 H  -0.1910000       1.610800      -1.936600    
 H    3.211600      -2.883700      -1.070100    
 H    3.594800      -1.388700      -1.946800    
 H    1.935500      -1.709400      -1.434600    
 H    4.945900      -2.340800      0.7621000    
 H    4.898700     -0.7544000       1.552400    
 H    5.395500     -0.8816000     -0.1389000    
 H   -1.110800      -3.175100      0.6258000    
 H   -2.049700      -2.661200       2.032100    
 H   -2.744900      -3.821800      0.8944000    
 H   -3.387500      -3.040000      -1.474700    
 H   -3.273200      -1.343900      -1.918400    
 H   -1.799100      -2.295800      -1.744900    


%chk=000016864-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000016864

0 1
O 1.911075 0.408638 0.266056
O 3.925579 1.247198 -0.559929
C -2.629117 1.787258 0.612378
C -3.671613 0.660275 0.338174
C -1.352850 1.690733 -0.218840
C 3.865475 -0.979004 0.532847
C -0.138313 1.692554 0.404465
C -3.120659 -0.727684 0.602223
C 1.215273 1.652652 -0.237915
C -1.553996 1.617912 -1.720889
C -3.322952 -1.865484 -0.122884
C 3.286824 0.341167 0.026720
C 3.981225 -1.960795 -0.667420
C 5.239163 -0.743123 1.200603
C -2.689514 -3.182074 0.300210
C -4.175736 -1.950385 -1.377926
H -3.123638 2.761661 0.410444
H -2.366834 1.780514 1.688069
H -4.054663 0.747550 -0.695229
H -4.541914 0.851401 1.001875
H 3.150585 -1.397847 1.263636
H -0.116046 1.737490 1.502702
H -2.480277 -0.803162 1.495565
H 1.847708 2.513938 0.049225
H 1.186930 1.599832 -1.338839
H -2.202275 2.445539 -2.069632
H -2.062779 0.672776 -1.991822
H -0.611818 1.664312 -2.289668
H 4.372213 -2.933618 -0.318728
H 4.675107 -1.559541 -1.427832
H 2.999251 -2.133031 -1.142983
H 5.681216 -1.707235 1.510448
H 5.150318 -0.100122 2.094543
H 5.928124 -0.249201 0.493371
H -2.041115 -3.587543 -0.502256
H -2.075604 -3.067241 1.210214
H -3.462382 -3.951336 0.500581
H -5.035896 -2.631051 -1.217412
H -4.578664 -0.975413 -1.698075
H -3.592611 -2.375707 -2.218969


