%chk=000082605.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082605

0 1
 O   0.8725000       1.005300      0.4072000    
 O    2.779700       2.141500     -0.2210000    
 C   -3.736800       1.318900      0.3136000    
 C    4.340800     -0.2062000     -0.1214000    
 C   -4.235100     -9.7199999E-02 -3.7000000E-03
 C   -2.311500       1.577400     -0.1279000    
 C    2.854200     -0.2476000      0.2285000    
 C    4.990900      -1.578500      4.9600001E-02
 C   -1.298300       1.908600      0.6962000    
 C   -3.400200      -1.163600      0.6496000    
 C   0.1212000       2.209600      0.3343000    
 C   -2.072400       1.475000      -1.612700    
 C    2.204400       1.111400      0.1018000    
 C    6.478400      -1.532700     -0.2607000    
 C   -2.788700      -2.213000      6.8400003E-02
 C   -2.802500      -2.522300      -1.401400    
 C   -1.996600      -3.186900      0.8996000    
 H   -3.831600       1.499500       1.392500    
 H   -4.396100       2.048200     -0.1736000    
 H    4.468500      0.1392000      -1.154900    
 H    4.849700      0.5246000      0.5197000    
 H   -5.257500     -0.1927000      0.3836000    
 H   -4.317700     -0.2258000      -1.085400    
 H    2.335600     -0.9396000     -0.4444000    
 H    2.725600     -0.5896000       1.261500    
 H    4.850600      -1.932100       1.077800    
 H    4.505900      -2.305100     -0.6125000    
 H   -1.515900       1.963000       1.762000    
 H   -3.314300      -1.060800       1.731100    
 H   0.2199000       2.670100     -0.6531000    
 H   0.5173000       2.926600       1.064200    
 H   -1.053600       1.700000      -1.931800    
 H   -2.283600      0.4625000      -1.968200    
 H   -2.735300       2.167300      -2.143200    
 H    6.654100      -1.211200      -1.292200    
 H    6.997900     -0.8395000      0.4088000    
 H    6.922900      -2.524800     -0.1336000    
 H   -3.181100      -3.536800      -1.566600    
 H   -3.427700      -1.849800      -1.990600    
 H   -1.786100      -2.466000      -1.805200    
 H  -0.9540000      -3.208900      0.5657000    
 H   -1.998100      -2.927200       1.963500    
 H   -2.414200      -4.194600      0.8036000    


%chk=000082605-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000082605

0 1
O 1.185155 0.849184 0.249726
O 2.972866 2.058745 -0.634906
C -3.533212 1.309219 0.674249
C 4.842606 -0.066176 0.027470
C -4.323049 0.004902 0.344137
C -2.264643 1.511139 -0.149511
C 3.357670 -0.149830 0.430389
C 5.660910 -1.264484 0.557654
C -1.070069 1.706997 0.481535
C -3.512195 -1.252004 0.590281
C 0.260721 1.973732 -0.155142
C -2.454366 1.495122 -1.655104
C 2.537716 1.038057 -0.051614
C 7.149167 -1.190267 0.153536
C -3.409888 -2.358780 -0.200778
C -4.124181 -2.540816 -1.529646
C -2.541659 -3.536344 0.215235
H -3.276486 1.310980 1.751262
H -4.216401 2.169364 0.506648
H 4.922956 -0.017223 -1.075769
H 5.273209 0.880694 0.405596
H -5.226908 -0.001585 0.990314
H -4.695141 0.045055 -0.695881
H 2.888794 -1.073460 0.039290
H 3.253627 -0.208368 1.532443
H 5.579791 -1.305738 1.663453
H 5.221216 -2.209760 0.177939
H -1.051238 1.683617 1.580403
H -2.940386 -1.247915 1.532291
H 0.231285 2.007209 -1.256726
H 0.719263 2.914621 0.204055
H -1.546164 1.774929 -2.212075
H -2.754447 0.484369 -1.992703
H -3.263862 2.189033 -1.954942
H 7.260577 -1.179848 -0.947055
H 7.619789 -0.269045 0.545446
H 7.718506 -2.053899 0.543485
H -4.834417 -3.390313 -1.476737
H -4.693713 -1.650334 -1.842847
H -3.399898 -2.786972 -2.331495
H -1.751879 -3.731688 -0.537620
H -2.050066 -3.359888 1.187526
H -3.140355 -4.466032 0.294887


