%chk=000178325.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178325

0 1
 O    3.434800     -0.2414000      1.5300000E-02
 O  -0.3079000       2.810900       1.283600    
 C   -1.101300     -0.3524000     -0.5497000    
 C  -0.8122000      -1.818700     -0.7388000    
 C   -1.993600      -1.394300      8.3600000E-02
 C  -0.3292000      0.5755000      0.3661000    
 C    1.174500      0.7085000      5.0000001E-02
 C    2.025300     -0.5335000      7.5900003E-02
 C   0.4089000      -2.427000     -0.1468000    
 C  -0.7722000       2.052100      0.1556000    
 C    1.651900      -1.751800     -0.7204000    
 C    1.196000       1.525600      -1.238500    
 C   9.4999997E-03   2.501200      -1.100700    
 C    2.947800     -0.7401000       1.265300    
 C   -1.885900      -1.553800       1.563700    
 C   -3.370800      -1.657400     -0.4240000    
 C   -2.275400       2.296500      5.9799999E-02
 H   -1.432900      0.1345000      -1.461100    
 H   -1.002100      -2.218200      -1.731100    
 H  -0.4172000      0.3334000       1.425400    
 H    1.601100       1.368700      0.8217000    
 H   0.4190000      -3.482000     -0.4492000    
 H   0.4567000      -2.436200      0.9426000    
 H    2.477400      -2.475100     -0.6909000    
 H    1.516600      -1.487800      -1.776000    
 H    1.060000      0.8900000      -2.121000    
 H    2.142900       2.060400      -1.367400    
 H   0.3734000       3.529600     -0.9979000    
 H  -0.6048000       2.446700      -2.006500    
 H    2.899500     -4.9699999E-02   2.098000    
 H    3.224400      -1.749200       1.544700    
 H   -2.509400     -0.8025000       2.063600    
 H   -2.279600      -2.535500       1.855100    
 H  -0.8946000      -1.491700       2.013700    
 H   -3.437100      -1.509600      -1.507500    
 H   -3.675300      -2.687200     -0.2100000    
 H   -4.092100     -0.9800000      4.5299999E-02
 H   -2.486900       3.371900      3.9600000E-02
 H   -2.723100       1.852800     -0.8337000    
 H   -2.789400       1.894000      0.9400000    
 H  -0.7712000       2.484700       2.074100    


%chk=000178325-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178325

0 1
O 3.593968 -0.161316 -0.014702
O -0.122698 2.948020 1.237356
C -1.117242 -0.349309 -0.457816
C -0.783976 -1.839699 -0.688258
C -2.048864 -1.451868 0.110564
C -0.283202 0.598580 0.415016
C 1.222037 0.725860 0.005748
C 2.105142 -0.516065 0.065089
C 0.480382 -2.473448 -0.121211
C -0.743686 2.084941 0.184945
C 1.752999 -1.790103 -0.696882
C 1.132224 1.464429 -1.357303
C -0.020748 2.498392 -1.136036
C 2.993759 -0.674090 1.268013
C -2.118087 -1.699128 1.616399
C -3.396189 -1.644868 -0.586551
C -2.260255 2.332741 0.201398
H -1.512151 0.142743 -1.356934
H -0.989697 -2.181312 -1.713373
H -0.382163 0.334294 1.486101
H 1.663887 1.450601 0.718369
H 0.489058 -3.549079 -0.383298
H 0.507364 -2.423309 0.984309
H 2.621575 -2.472031 -0.633453
H 1.600904 -1.565650 -1.770152
H 0.871448 0.759090 -2.168610
H 2.089403 1.941803 -1.623002
H 0.364960 3.523800 -1.005758
H -0.729518 2.512000 -1.983186
H 2.947487 0.065383 2.078769
H 3.330197 -1.677738 1.563061
H -2.815327 -0.984848 2.096683
H -2.495311 -2.719930 1.818548
H -1.142043 -1.604009 2.122588
H -3.317361 -1.463000 -1.674519
H -3.773887 -2.676161 -0.445231
H -4.157171 -0.948705 -0.182392
H -2.458374 3.408561 0.048197
H -2.784977 1.768430 -0.587994
H -2.702796 2.034895 1.172827
H -0.555571 2.733003 2.104181


