%chk=000174870.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000174870

0 1
 O    2.960000      0.6289000      0.2397000    
 O   0.4107000      -1.778700      -1.979700    
 O    2.929200      -2.219900       1.016300    
 O   -3.655400     -0.3409000     -7.1199998E-02
 O    3.280300       2.633000       1.321200    
 O   -3.575600       1.125800       1.712000    
 C    1.026100     -0.8878000      0.2113000    
 C  -9.7199999E-02  -1.553000     -0.6442000    
 C    1.945100      4.4199999E-02 -0.6179000    
 C   -1.419100     -0.7601000     -0.8001000    
 C    1.328900       1.248400      -1.341500    
 C   -1.228200      0.7478000      -1.088400    
 C  -5.5799998E-02   1.124400      -1.994700    
 C    1.768600      -2.156700      0.6388000    
 C   0.5747000     -0.2811000       1.558400    
 C  -0.2019000      -2.940300     -6.3500002E-02
 C    1.541700       2.325400     -0.3287000    
 C   -2.437300     -0.9291000      0.3366000    
 C   0.8742000      -3.328400      0.6242000    
 C    2.681900       1.933900      0.5240000    
 C   0.8835000       3.468400     -0.1201000    
 C   -4.121200      0.6862000      0.7090000    
 C   -5.413200       1.209900      0.1586000    
 H    2.500800     -0.5539000      -1.351500    
 H   -1.908500      -1.155200      -1.705100    
 H    2.018400       1.499600      -2.163300    
 H   -1.181700       1.324800     -0.1606000    
 H   -2.139800       1.101000      -1.591100    
 H  -5.7000001E-03  0.4385000      -2.847800    
 H  -0.2946000       2.098100      -2.445000    
 H  -5.0900001E-02 -0.9753000       2.131100    
 H    1.434500     -6.4000003E-02   2.204000    
 H   1.8900000E-02  0.6494000       1.442000    
 H   -1.025000      -3.608100     -0.2824000    
 H   -2.063700     -0.5294000       1.281200    
 H   -2.650300      -1.989200      0.5049000    
 H    1.079800      -4.286600       1.066500    
 H    1.209600      -2.331000      -1.934900    
 H   4.4300001E-02   3.756200     -0.7433000    
 H    1.162400       4.150400      0.6763000    
 H   -6.163600      0.4154000      0.1566000    
 H   -5.255300       1.593600     -0.8524000    
 H   -5.772100       2.027600      0.7903000    


%chk=000174870-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000174870

0 1
O 3.061152 0.582446 0.273958
O 0.293462 -1.689842 -2.062453
O 3.020722 -2.384073 1.015395
O -3.745040 -0.445109 0.054435
O 3.412103 2.592591 1.398697
O -3.626988 1.455318 1.415199
C 1.093980 -0.941190 0.218838
C -0.115184 -1.507322 -0.618790
C 2.009525 -0.003301 -0.624957
C -1.419796 -0.669452 -0.726750
C 1.376821 1.257134 -1.324761
C -1.205598 0.845058 -1.015958
C -0.032430 1.194179 -1.960180
C 1.827371 -2.264779 0.649277
C 0.670229 -0.293694 1.571047
C -0.287457 -2.933580 -0.093174
C 1.609621 2.359722 -0.300525
C -2.373945 -0.860320 0.473385
C 0.822163 -3.368955 0.568633
C 2.759717 1.939289 0.566197
C 0.995518 3.557816 -0.148357
C -4.258802 0.742125 0.605666
C -5.653508 0.994150 0.077726
H 2.567584 -0.609040 -1.355616
H -1.935821 -1.114388 -1.602270
H 2.076849 1.476049 -2.161486
H -1.100106 1.402614 -0.066609
H -2.141399 1.218366 -1.473372
H -0.008702 0.483875 -2.803470
H -0.222208 2.196677 -2.393848
H 0.016051 -0.970728 2.147286
H 1.571855 -0.105818 2.176852
H 0.144192 0.664190 1.431418
H -1.161716 -3.535660 -0.362516
H -2.083396 -0.259436 1.350590
H -2.484112 -1.919959 0.757544
H 1.022444 -4.373563 0.948812
H 0.972165 -2.413970 -2.105242
H 0.158745 3.873745 -0.780755
H 1.334244 4.247949 0.632927
H -6.316466 0.151915 0.340826
H -5.636644 1.065175 -1.023601
H -6.049693 1.925996 0.505583


