%chk=000124590.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124590

0 1
 O   0.7960000       2.115300       1.030700    
 O  -7.7799998E-02  -1.006900      0.9421000    
 O   -1.452500      -2.814500      0.8519000    
 O   2.2700001E-02   3.042300       1.826200    
 C   0.5283000      -3.675700      -1.267300    
 C    1.734900      -3.975100     -0.3692000    
 C  -8.4100001E-02  -2.290100      -1.068200    
 C    2.849300      -2.983200     -0.5346000    
 C    4.480200      -1.277700      0.3123000    
 C    3.371200      -2.274500      0.4777000    
 C    3.620200       2.535400      0.3823000    
 C    4.055500      9.3400002E-02  0.7508000    
 C   1.8400000E-02   3.328400     -0.9538000    
 C    4.047900       1.165200     -5.6299999E-02
 C    1.153100       2.826600     -0.1001000    
 C    2.444200       3.026300     -0.4134000    
 C  -0.6186000      -2.088000      0.3274000    
 C   -3.118400       1.046500      -1.451500    
 C  -0.9028000       2.218700      -1.374000    
 C   -2.198200       2.154900      -1.030500    
 C   -3.760300      0.3822000     -0.2687000    
 C   -5.721700     -0.2540000       1.158000    
 C   -5.080400      0.3986000     -3.0600000E-02
 C   -6.107000      -1.694400      0.8589000    
 H   0.8272000      -3.775700      -2.318400    
 H  -0.2353000      -4.442400      -1.086400    
 H    1.410700      -4.027900      0.6771000    
 H    2.120800      -4.969800     -0.6233000    
 H   0.6448000      -1.505600      -1.300600    
 H  -0.9217000      -2.145200      -1.760500    
 H    3.242600      -2.850400      -1.539400    
 H    5.327700      -1.594000      0.9320000    
 H    4.840800      -1.262400     -0.7234000    
 H    2.984000      -2.420300       1.483800    
 H    3.387200       2.553300       1.454100    
 H    4.455500       3.232200      0.2445000    
 H    3.744900      0.2064000       1.787200    
 H   0.4034000       3.804600      -1.864400    
 H  -0.5279000       4.112500     -0.4156000    
 H    4.371000       1.056600      -1.089300    
 H    2.684800       3.572600      -1.323400    
 H   -3.878300       1.466000      -2.121900    
 H   -2.579600      0.2835000      -2.026100    
 H  -0.4757000       1.432000      -1.992000    
 H   -2.627000       2.950800     -0.4255000    
 H   -3.102400     -0.1333000      0.4269000    
 H   -5.041900     -0.2310000       2.018200    
 H   -6.609700      0.3201000       1.445900    
 H   -5.745100      0.9016000     -0.7283000    
 H   -5.227700      -2.298400      0.6101000    
 H   -6.588900      -2.145000       1.732300    
 H   -6.808300      -1.750600      1.9400001E-02
 H  -0.4355000     -0.8826000       1.846900    
 H  -0.8359000       2.607200       1.685900    


%chk=000124590-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124590

0 1
O 0.782145 2.710533 0.979097
O -1.834576 -1.496549 -1.556725
O -1.763225 -3.187725 0.029688
O -0.268690 3.617472 1.706515
C 0.628782 -4.348756 -1.196387
C 1.382729 -4.100679 0.138911
C -0.053398 -3.093030 -1.772798
C 2.545831 -3.134606 0.011477
C 3.988910 -1.158091 0.763046
C 2.780423 -2.081487 0.837140
C 3.593315 2.792103 0.490384
C 3.641027 0.300070 1.009282
C 0.108996 3.869927 -1.129461
C 3.953568 1.338140 0.192622
C 1.202324 3.356035 -0.204887
C 2.543671 3.332022 -0.464729
C -1.274114 -2.644030 -0.988740
C -3.095926 1.549408 -1.351506
C -0.881808 2.769506 -1.467091
C -2.185648 2.736744 -1.085427
C -3.314853 0.717506 -0.088802
C -4.693789 -0.691999 1.539896
C -4.489021 0.138449 0.289479
C -5.120148 -2.152074 1.231285
H 1.345186 -4.732133 -1.950083
H -0.129413 -5.138424 -1.037790
H 0.669799 -3.744739 0.905138
H 1.764403 -5.081448 0.493249
H 0.654724 -2.242214 -1.804132
H -0.378096 -3.256843 -2.818779
H 3.259107 -3.339129 -0.805378
H 4.716024 -1.475917 1.544355
H 4.503484 -1.277252 -0.209426
H 2.067357 -1.877458 1.651949
H 3.212902 2.866349 1.524237
H 4.503359 3.420228 0.411630
H 3.092026 0.511411 1.940920
H 0.591364 4.258995 -2.045875
H -0.413226 4.714210 -0.643302
H 4.482616 1.145608 -0.753825
H 2.865924 3.643382 -1.467293
H -4.075010 1.877949 -1.750611
H -2.619783 0.921561 -2.131555
H -0.471933 1.909635 -2.019408
H -2.612462 3.579143 -0.519235
H -2.428806 0.597725 0.556220
H -3.766309 -0.698016 2.143257
H -5.479415 -0.212997 2.160526
H -5.375320 0.267229 -0.354704
H -4.305040 -2.697461 0.723773
H -5.359162 -2.692400 2.165387
H -6.018394 -2.178472 0.585980
H -2.602106 -1.159304 -1.000979
H -1.065722 3.016392 1.619385


