%chk=000061182.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000061182

0 1
 O    3.278600      -1.442000      0.5157000    
 O    4.454700     -0.6749000      -1.318800    
 C   0.2011000       1.290700      0.2361000    
 C    1.258400      0.2981000     -0.3705000    
 C    2.763700      0.7141000     -0.2766000    
 C   -1.144900      0.4682000      0.3882000    
 C   0.6809000       1.760400       1.633200    
 C    3.092000       1.239200       1.136500    
 C   0.8250000     -0.1658000      -1.778300    
 C    2.111200       2.291200       1.635800    
 C  -4.0300000E-02   2.538700     -0.6490000    
 C   -1.516400     -0.3094000     -0.8725000    
 C   -2.347900       1.307400      0.8664000    
 C  -0.6190000     -0.5748000      -1.838600    
 C    3.252400       1.702800      -1.345600    
 C    3.610200     -0.5328000     -0.4448000    
 C   -3.593600      0.4385000       1.070000    
 C   -2.886300     -0.7852000     -0.9834000    
 C   -3.848600     -0.4823000     -9.4700001E-02
 C   -5.237200      -1.039100     -0.2072000    
 C   -5.568500      -1.881800       1.019700    
 C   -6.255800      8.2000002E-02 -0.3907000    
 C    4.005600      -2.674000      0.4733000    
 C    3.524700      -3.569000       1.595600    
 H    1.158700     -0.5986000      0.2621000    
 H  -0.9712000     -0.2942000       1.164800    
 H   0.6227000      0.9244000       2.342800    
 H   2.0300001E-02   2.542200       2.026100    
 H    4.107600       1.656400       1.158700    
 H    3.097300      0.4319000       1.880100    
 H    1.435000      -1.024600      -2.082300    
 H   0.9831000      0.6194000      -2.524700    
 H    2.383800       2.577700       2.658800    
 H    2.187500       3.202100       1.032900    
 H   0.8708000       3.101300     -0.8433000    
 H  -0.4820000       2.288400      -1.617900    
 H  -0.7199000       3.245000     -0.1591000    
 H   -2.591600       2.084500      0.1311000    
 H   -2.119900       1.816600       1.808800    
 H  -0.9196000      -1.122100      -2.729300    
 H    4.332900       1.877200      -1.257500    
 H    3.080700       1.335500      -2.362600    
 H    2.786800       2.684000      -1.258600    
 H   -4.433600       1.115900       1.247600    
 H   -3.467000     -0.1624000       1.979000    
 H   -3.118800      -1.433700      -1.824900    
 H   -5.302500      -1.692500      -1.087300    
 H   -5.628300      -1.282000       1.934500    
 H   -4.820400      -2.667100       1.176200    
 H   -6.539500      -2.373400      0.8909000    
 H   -5.959000      0.7660000      -1.193600    
 H   -6.413800      0.6676000      0.5206000    
 H   -7.229400     -0.3407000     -0.6646000    
 H    3.834800      -3.165100     -0.4911000    
 H    5.075500      -2.470800      0.5941000    
 H    4.060400      -4.522300       1.592700    
 H    3.672000      -3.083000       2.565700    
 H    2.451800      -3.765500       1.498400    


%chk=000061182-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000061182

0 1
O 3.364005 -1.517382 0.501885
O 4.478316 -0.704419 -1.362614
C 0.191034 1.330848 0.234323
C 1.260208 0.305608 -0.305158
C 2.782495 0.742802 -0.224292
C -1.132768 0.493855 0.427456
C 0.649541 1.867210 1.624933
C 3.084016 1.275446 1.217968
C 0.870747 -0.217810 -1.708929
C 2.102227 2.387200 1.640743
C -0.073049 2.513826 -0.736741
C -1.507337 -0.317458 -0.820213
C -2.361240 1.317907 0.898691
C -0.579827 -0.634767 -1.775515
C 3.245905 1.781414 -1.278426
C 3.632566 -0.528290 -0.453827
C -3.574165 0.396557 1.166934
C -2.898179 -0.777049 -0.936977
C -3.886414 -0.490692 -0.032200
C -5.305034 -1.030549 -0.199079
C -5.772235 -1.822351 1.052705
C -6.317095 0.101688 -0.534374
C 4.136960 -2.789551 0.366354
C 3.698998 -3.694226 1.513695
H 1.192231 -0.561477 0.385318
H -0.922728 -0.240709 1.239862
H 0.567731 1.045065 2.368232
H -0.035888 2.669599 1.959867
H 4.128166 1.644119 1.256508
H 3.004433 0.436525 1.934662
H 1.518354 -1.077163 -1.982017
H 1.069314 0.552652 -2.484160
H 2.361146 2.729834 2.661748
H 2.204495 3.272377 0.983319
H 0.847607 3.065849 -0.982699
H -0.522039 2.164925 -1.683602
H -0.773930 3.237229 -0.282029
H -2.642279 2.051080 0.119083
H -2.114391 1.883846 1.816375
H -0.894260 -1.222733 -2.650810
H 4.344865 1.879534 -1.242795
H 2.987871 1.475962 -2.305537
H 2.808286 2.773554 -1.087674
H -4.458263 1.009079 1.432148
H -3.367601 -0.237277 2.056558
H -3.137025 -1.406551 -1.807590
H -5.296063 -1.731590 -1.058801
H -5.821940 -1.168834 1.943699
H -5.082782 -2.656249 1.277789
H -6.782316 -2.242976 0.890678
H -6.014969 0.646377 -1.446902
H -6.392217 0.833296 0.291932
H -7.326815 -0.319124 -0.699456
H 3.918082 -3.225286 -0.625491
H 5.214570 -2.547183 0.402393
H 4.240417 -4.656485 1.460133
H 3.917090 -3.227194 2.489552
H 2.616371 -3.901585 1.461267


