%chk=000042675.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042675

0 1
 O    4.831700      -2.230600     -0.7663000    
 O    6.631200     -0.7886000      0.9546000    
 O  -0.8897000       2.259800      -1.513100    
 O   -3.603600       2.371000      0.1760000    
 C    2.731800      0.7351000      0.2550000    
 C    3.174400     -0.5001000     -0.5375000    
 C    3.889600       1.732300      0.3958000    
 C    4.409800      -1.159600      7.6700002E-02
 C    5.558400     -0.1630000      0.2524000    
 C    5.116600       1.079300       1.023600    
 C    1.526600       1.398800     -0.4087000    
 C   0.2458000      0.6064000     -0.1634000    
 C  -0.9628000       1.230600     -0.8422000    
 C   -2.295000      0.5325000     -0.6333000    
 C   -3.034100       1.121900      0.5663000    
 C    4.045700      -3.393300     -0.5561000    
 C   -4.136700      0.1974000       1.101300    
 C   -5.222500     -0.1425000      7.3500000E-02
 C   -6.274900      -1.079600      0.6710000    
 C   -7.338400      -1.451700     -0.3620000    
 C   -8.404000      -2.356000      0.2364000    
 H    2.447200      0.4157000       1.267300    
 H    3.389400     -0.2287000      -1.580000    
 H    2.356500      -1.224500     -0.5852000    
 H    4.157200       2.135700     -0.5892000    
 H    3.580000       2.582800       1.014900    
 H    4.163100      -1.561300       1.069700    
 H    5.948200      0.1219000     -0.7326000    
 H    4.903100      0.8099000       2.066300    
 H    5.941600       1.800700       1.068400    
 H    1.388700       2.408600     -9.9999997E-05
 H    1.699800       1.525100      -1.484900    
 H   0.3367000     -0.4115000     -0.5538000    
 H   3.9799999E-02  0.5511000      0.9111000    
 H    7.347200     -0.1358000       1.037600    
 H   -2.098000     -0.5364000     -0.4949000    
 H   -2.870300      0.6469000      -1.559500    
 H   -2.327600       1.330100       1.378500    
 H    4.076500      -3.707100      0.4921000    
 H    3.012600      -3.248100     -0.8806000    
 H    4.472100      -4.199400      -1.160500    
 H   -3.679200     -0.7287000       1.470500    
 H   -4.616700      0.6840000       1.959900    
 H   -4.772700     -0.6262000     -0.8009000    
 H   -5.706400      0.7770000     -0.2764000    
 H   -5.790000      -1.991300       1.041000    
 H   -6.750600     -0.5942000       1.531800    
 H   -6.869800      -1.960400      -1.212500    
 H   -7.815100     -0.5437000     -0.7493000    
 H   -4.057600       2.741500      0.9520000    
 H   -8.915300      -1.862400       1.069100    
 H   -7.964900      -3.288000      0.6065000    
 H   -9.153500      -2.610300     -0.5196000    


%chk=000042675-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042675

0 1
O 4.424705 -2.351945 0.087570
O 6.554779 -0.508149 1.076122
O -1.120838 2.428315 -1.704949
O -2.597988 0.591151 1.388794
C 2.629421 1.010991 0.022508
C 2.972814 -0.478137 -0.230975
C 3.863796 1.890063 -0.301725
C 4.226809 -0.962593 0.525435
C 5.437062 -0.060636 0.215725
C 5.107904 1.424172 0.486083
C 1.398083 1.479786 -0.791212
C 0.101620 0.716860 -0.463941
C -1.149699 1.325823 -1.095507
C -2.467739 0.539799 -1.006972
C -2.645652 -0.342558 0.238086
C 5.172826 -3.196435 1.028169
C -3.949882 -1.173016 0.234263
C -5.253259 -0.362604 0.056935
C -6.516812 -1.210635 0.323261
C -7.832012 -0.429899 0.100870
C -9.091099 -1.276227 0.386900
H 2.397232 1.136959 1.104233
H 3.142951 -0.637597 -1.315758
H 2.136402 -1.138619 0.060403
H 4.066899 1.836846 -1.392107
H 3.646413 2.950362 -0.069452
H 4.053494 -0.931187 1.626816
H 5.705283 -0.201828 -0.854859
H 4.934597 1.548148 1.574255
H 5.986778 2.049374 0.225156
H 1.224126 2.557790 -0.611608
H 1.615408 1.385522 -1.874379
H 0.166595 -0.345463 -0.776549
H -0.077607 0.694346 0.632297
H 7.332162 0.085346 0.916546
H -2.526365 -0.104665 -1.909424
H -3.289670 1.272293 -1.077436
H -1.793313 -1.054331 0.316183
H 6.216182 -2.853683 1.137339
H 4.688478 -3.199959 2.028389
H 5.138466 -4.213160 0.603037
H -3.874946 -1.939415 -0.564925
H -4.002015 -1.737995 1.191024
H -5.305684 0.047636 -0.971373
H -5.238664 0.508542 0.742418
H -6.509601 -2.106841 -0.333025
H -6.491304 -1.591227 1.366429
H -7.863074 -0.059592 -0.944153
H -7.834589 0.470518 0.748497
H -2.791799 0.084141 2.217985
H -9.099599 -1.633680 1.434111
H -9.129936 -2.165481 -0.270528
H -10.016237 -0.694122 0.221718


