%chk=000081767.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081767

0 1
 O    1.308800     -0.6687000      0.1597000    
 O    3.626600      0.6990000     -0.6055000    
 O   -1.480900     -0.4082000      0.2577000    
 O   -3.268100     -0.3834000      -1.206600    
 C    2.563700     -0.9541000      0.7615000    
 C   0.4637000      -1.812800      0.1491000    
 C    3.417500      0.2991000      0.7435000    
 C  -0.8558000      -1.447300     -0.5031000    
 C    4.405000       1.885000     -0.6822000    
 C   -2.681400      2.1500001E-02 -0.2156000    
 C   -3.164800       1.084700      0.6897000    
 C   -4.334300       1.685300      0.4518000    
 H    2.415300      -1.288500       1.794200    
 H    3.059500      -1.747700      0.1904000    
 H   0.9425000      -2.625100     -0.4087000    
 H   0.2890000      -2.134200       1.182300    
 H    4.381100      0.1023000       1.226200    
 H    2.901600       1.105900       1.277000    
 H   -1.512200      -2.323800     -0.5370000    
 H  -0.6779000      -1.077200      -1.519400    
 H    4.537400       2.142300      -1.736500    
 H    5.391200       1.726500     -0.2351000    
 H    3.893100       2.713200     -0.1827000    
 H   -2.559900       1.367800       1.543900    
 H   -4.688700       2.465800       1.116900    
 H   -4.962200       1.425100     -0.3933000    


%chk=000081767-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000081767

0 1
O 1.326882 -0.436878 0.131353
O 4.210100 0.316844 -0.526999
O -1.662208 -0.398914 0.318865
O -3.308145 -0.149389 -1.322430
C 2.551183 -0.735111 0.881842
C 0.434604 -1.591341 0.041329
C 3.492894 0.451878 0.743208
C -0.836670 -1.153789 -0.662949
C 5.018338 1.493400 -0.831845
C -2.896254 0.062785 -0.154838
C -3.600801 0.811050 0.919093
C -4.825832 1.357634 0.707729
H 2.301164 -0.907319 1.952681
H 3.051608 -1.643897 0.482193
H 0.918186 -2.401593 -0.550132
H 0.192469 -1.991601 1.050723
H 4.218090 0.466239 1.588553
H 2.900358 1.392227 0.768341
H -1.420737 -2.020859 -1.022342
H -0.606618 -0.499674 -1.522014
H 5.510318 1.288801 -1.795790
H 5.794230 1.674001 -0.055550
H 4.390836 2.405411 -0.926471
H -3.076471 0.896708 1.876441
H -5.349186 1.912377 1.493394
H -5.318539 1.253510 -0.266185


