%chk=000049859.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049859

0 1
 O    2.576400      -1.288100     -0.5262000    
 C  -0.3233000      0.6230000      7.9499997E-02
 C   -1.301800     -0.4544000      0.5913000    
 C   0.8048000     -0.1973000      0.7393000    
 C  -0.1080000      -1.431900      0.5860000    
 C   -2.425400     -0.8623000     -0.3587000    
 C  -0.1964000      0.7379000      -1.423000    
 C  -0.5740000       1.991500      0.6850000    
 C    2.172500     -0.2485000     -7.7000000E-03
 C   -3.596700      0.1049000     -0.2992000    
 C    2.971900       1.025100     -6.6100001E-02
 H   -1.670700     -0.2795000       1.612500    
 H   0.9557000      5.5500001E-02   1.799700    
 H   2.3000000E-02  -1.999100     -0.3431000    
 H  -8.2599998E-02  -2.136300       1.422900    
 H   -2.090800     -0.9887000      -1.392700    
 H   -2.797800      -1.846900     -4.7499999E-02
 H   0.5857000       1.445400      -1.714600    
 H   3.6400001E-02 -0.2142000      -1.912000    
 H   -1.121000       1.117700      -1.873000    
 H   0.2510000       2.678200      0.4659000    
 H   -1.493100       2.440200      0.2940000    
 H  -0.6719000       1.940300       1.775200    
 H   -3.307400       1.100500     -0.6474000    
 H   -3.973300      0.2036000      0.7240000    
 H   -4.415800     -0.2505000     -0.9321000    
 H    2.451800       1.790300     -0.6414000    
 H    3.153500       1.382700      0.9507000    
 H    3.937600      0.8270000     -0.5402000    


%chk=000049859-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049859

0 1
O 2.353471 -1.079427 -1.012367
C -0.366485 0.697822 0.015285
C -1.313341 -0.470388 0.539476
C 0.858619 -0.135974 0.658488
C -0.059183 -1.393570 0.684294
C -2.498759 -0.964202 -0.303562
C -0.282457 0.777518 -1.522819
C -0.599874 2.087891 0.630009
C 2.150129 -0.193026 -0.135623
C -3.689352 0.021257 -0.337212
C 3.180966 0.895745 0.147584
H -1.684662 -0.187685 1.546913
H 1.057569 0.261469 1.672051
H 0.116653 -2.011702 -0.213672
H 0.000583 -2.033532 1.579488
H -2.160314 -1.179982 -1.335759
H -2.839655 -1.933995 0.114592
H 0.492504 1.502561 -1.837042
H -0.026224 -0.195887 -1.976043
H -1.246323 1.115039 -1.946812
H 0.218263 2.788272 0.370423
H -1.543979 2.527647 0.255080
H -0.667404 2.035011 1.732827
H -3.399749 0.989222 -0.786799
H -4.062295 0.226374 0.684273
H -4.530603 -0.384482 -0.928656
H 2.701907 1.892659 0.175142
H 3.633587 0.730785 1.144985
H 3.976711 0.880677 -0.613443