%chk=000006533.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006533

0 1
 O  -0.8839000     -0.7136000      0.2698000    
 O   0.4521000      -2.597900      0.3123000    
 C   -2.059800      -1.536600      0.3646000    
 C   -3.279300     -0.5839000      0.3376000    
 C   -3.312400      0.3962000     -0.8400000    
 C   -1.949300      -2.255000       1.715200    
 C   -2.057900      -2.448400     -0.8449000    
 C   -4.493200       1.321900     -0.7373000    
 C   -4.548600       2.514500     -0.1149000    
 C   0.2939000      -1.388800      0.2547000    
 C   -2.512400      -3.705300     -0.9189000    
 C   -3.332800       3.074300      0.5739000    
 C   -5.763900       3.395800     -4.7600001E-02
 C    1.376900     -0.3843000      0.1559000    
 C    2.653400     -0.7914000      0.1109000    
 C    3.815300      0.1083000      2.4000001E-03
 C    3.676100       1.441500      0.3530000    
 C    5.024600     -0.3962000     -0.4475000    
 C    4.776200       2.293300      0.2509000    
 C    6.124700      0.4554000     -0.5496000    
 C    6.000400       1.800200     -0.2004000    
 H   -4.207000      -1.172100      0.3568000    
 H   -3.268100      5.4000001E-03   1.265400    
 H   -3.403100     -0.1537000      -1.784500    
 H   -2.377900      0.9604000     -0.9202000    
 H   -1.614100      -1.569500       2.502800    
 H   -2.927200      -2.650000       2.016800    
 H   -1.269200      -3.111300       1.722200    
 H   -1.687400      -2.014100      -1.773500    
 H   -5.401900      0.9572000      -1.214000    
 H   -2.930200      -4.213200     -5.7500001E-02
 H   -2.476100      -4.247100      -1.857900    
 H   -3.592100       3.376900       1.594700    
 H   -2.497100       2.377200      0.6633000    
 H   -2.975200       3.959900      3.8100000E-02
 H   -5.555600       4.368600     -0.5043000    
 H   -6.064200       3.553600      0.9932000    
 H   -6.613300       2.952200     -0.5775000    
 H    1.079200      0.6563000      9.9699996E-02
 H    2.889000      -1.852800      0.1438000    
 H    2.749900       1.863800      0.7295000    
 H    5.137100      -1.441000     -0.7246000    
 H    4.681400       3.339300      0.5276000    
 H    7.078100      7.1699999E-02 -0.9010000    
 H    6.857200       2.462900     -0.2787000    


%chk=000006533-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006533

0 1
O -0.904555 -0.884569 0.363489
O 0.571101 -2.688784 0.020429
C -2.144457 -1.771880 0.398834
C -3.286147 -0.732291 0.583705
C -3.447091 0.291008 -0.571956
C -2.061116 -2.702101 1.623603
C -2.258270 -2.494813 -0.936799
C -4.559904 1.279573 -0.288592
C -4.463406 2.629867 -0.112859
C 0.362058 -1.457872 0.173567
C -2.779414 -3.729403 -1.129743
C -3.168023 3.420383 -0.181412
C -5.701026 3.468196 0.170925
C 1.388578 -0.391643 0.188330
C 2.711211 -0.701905 0.026764
C 3.852303 0.223226 0.018566
C 3.716695 1.633527 0.181756
C 5.160512 -0.312629 -0.159969
C 4.848575 2.470539 0.166299
C 6.294620 0.525560 -0.175360
C 6.143158 1.921845 -0.012040
H -4.228783 -1.299558 0.711111
H -3.098904 -0.185604 1.527698
H -3.683397 -0.259355 -1.505425
H -2.481892 0.800415 -0.734255
H -1.865451 -2.105570 2.531887
H -3.022552 -3.227748 1.764916
H -1.261353 -3.448040 1.498973
H -1.923455 -1.907314 -1.803867
H -5.563866 0.831046 -0.207405
H -3.115692 -4.362943 -0.301186
H -2.863633 -4.154133 -2.135798
H -3.011727 3.991136 0.755738
H -2.282341 2.785217 -0.343282
H -3.208632 4.165656 -1.001059
H -5.839347 4.249412 -0.603389
H -5.609460 3.997906 1.140504
H -6.616074 2.851299 0.202047
H 1.025695 0.630051 0.336898
H 2.943845 -1.768531 -0.111827
H 2.723499 2.074382 0.321037
H 5.279427 -1.395760 -0.286169
H 4.728042 3.552202 0.292770
H 7.291733 0.093651 -0.313820
H 7.021217 2.576950 -0.023337


