%chk=000051737.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051737

0 1
 O    6.029200       2.215600     -0.7309000    
 O   -5.977200       2.342900     -0.8255000    
 O    5.945400      -2.531900     -0.1051000    
 O   -6.016900      -2.386400     -7.0799999E-02
 O    7.141200     -0.2796000      -1.186500    
 O   -7.150000     -0.1349000      -1.219200    
 N   3.3000000E-03  0.2724000       1.885400    
 C    1.201100      0.1222000       1.071900    
 C   -1.198300      0.1782000       1.063100    
 C    2.462200      0.2133000       1.931900    
 C   -2.472700      0.3240000       1.906900    
 C    3.711600      8.1600003E-02   1.097800    
 C   -3.709000      0.2031000       1.082000    
 C    4.254400      -1.175300      0.8790000    
 C   -4.297500      -1.046400      0.8866000    
 C    4.297400       1.219700      0.5648000    
 C   -4.276300       1.339100      0.5046000    
 C    5.453700       1.098000     -0.2059000    
 C   -5.432200       1.225700     -0.2679000    
 C    5.410800      -1.297100      0.1085000    
 C   -5.453300      -1.159800      0.1139000    
 C    6.010300     -0.1605000     -0.4340000    
 C   -6.020700     -2.3800001E-02 -0.4633000    
 C    7.014000       2.872200      6.4700000E-02
 C   -5.526200       2.702300      -2.129900    
 C    5.491000      -3.244900      -1.253500    
 C   -5.572300      -3.141000      -1.196400    
 C    7.074700      0.1861000      -2.532300    
 C   -8.397600     -1.4700000E-02 -0.5398000    
 H    1.184300     -0.8476000      0.5584000    
 H    1.229400      0.9000000      0.2979000    
 H   -1.185600      0.9565000      0.2891000    
 H   -1.218700     -0.7914000      0.5493000    
 H    2.452800     -0.5669000       2.704700    
 H    2.486200       1.167900       2.474400    
 H   -2.469100       1.291300       2.426900    
 H   -2.484000     -0.4352000       2.700600    
 H   2.1400001E-02   1.170900       2.366800    
 H    3.788700      -2.062600       1.299800    
 H   -3.858600      -1.935600       1.332800    
 H    3.864200       2.201200      0.7389000    
 H   -3.820900       2.315400      0.6525000    
 H    7.387900       3.733600     -0.4954000    
 H    7.852400       2.200200      0.2738000    
 H    6.574300       3.227800       1.001900    
 H   -6.057200       3.606800      -2.438900    
 H   -4.452100       2.912900      -2.119500    
 H   -5.746100       1.905200      -2.847200    
 H    5.718100      -2.689500      -2.168800    
 H    6.012700      -4.205200      -1.289000    
 H    4.414800      -3.433700      -1.186200    
 H   -6.118700      -4.088000      -1.211400    
 H   -5.778600      -2.603100      -2.127100    
 H   -4.501900      -3.355400      -1.115500    
 H    7.704600     -0.4656000      -3.145100    
 H    7.475000       1.201500      -2.598100    
 H    6.055800      0.1507000      -2.933900    
 H   -8.487500      0.9699000     -7.0299998E-02
 H   -8.503300     -0.8011000      0.2141000    
 H   -9.199600     -0.1256000      -1.274700    


%chk=000051737-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000051737

0 1
O 5.990863 2.275116 -0.893063
O -6.232836 2.484422 -0.400936
O 6.145492 -2.634321 -0.202178
O -6.215805 -2.470122 -0.259468
O 7.303888 -0.246373 -1.396294
O -7.515844 -0.013324 -1.083841
N -0.018444 0.084184 1.662789
C 1.221263 0.041858 0.858805
C -1.270985 0.075178 0.878181
C 2.465297 0.011409 1.783287
C -2.501714 0.064865 1.820812
C 3.765825 -0.045892 0.997602
C -3.816199 0.048629 1.055964
C 4.428998 -1.277405 0.789105
C -4.420933 -1.178767 0.693623
C 4.328401 1.133777 0.447753
C -4.427852 1.258878 0.646079
C 5.510996 1.074696 -0.315526
C -5.630640 1.242634 -0.090229
C 5.612173 -1.350588 0.016413
C -5.631953 -1.207945 -0.035183
C 6.150748 -0.172075 -0.570722
C -6.263354 0.009618 -0.413738
C 7.355675 2.672361 -0.477078
C -6.453024 2.743004 -1.842100
C 7.591193 -2.819604 0.046627
C -6.593821 -2.791908 -1.653046
C 7.006419 -0.017289 -2.832446
C -8.647142 0.362503 -0.199931
H 1.203138 -0.878112 0.242599
H 1.314614 0.900666 0.147310
H -1.356378 0.940956 0.173772
H -1.281635 -0.840484 0.255272
H 2.370034 -0.861590 2.453748
H 2.449740 0.917276 2.423709
H -2.456487 0.962083 2.470800
H -2.416917 -0.818878 2.478961
H -0.003002 0.869920 2.330502
H 4.038422 -2.207531 1.215095
H -3.974704 -2.135604 0.984768
H 3.865131 2.113042 0.608968
H -3.987896 2.230247 0.896130
H 7.574963 3.592405 -1.040336
H 8.088164 1.882893 -0.720847
H 7.374631 2.883277 0.609385
H -6.953701 3.722276 -1.887934
H -5.481707 2.792292 -2.370902
H -7.087257 1.959021 -2.291589
H 7.837993 -2.552614 1.092606
H 7.771860 -3.893240 -0.117302
H 8.194088 -2.206660 -0.642228
H -7.048775 -3.792959 -1.601713
H -7.313150 -2.054509 -2.046415
H -5.691009 -2.822904 -2.293829
H 7.976822 -0.077620 -3.349226
H 6.554528 0.980794 -2.976763
H 6.325421 -0.802788 -3.209547
H -8.504253 1.386965 0.190123
H -8.731125 -0.355540 0.636553
H -9.547437 0.314803 -0.832033


