%chk=000077057.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077057

0 1
 O    2.447700      0.9689000     -7.1000000E-03
 O   1.1000000E-02  -1.532100     -8.9100003E-02
 O   -2.453100      0.9236000     -3.8500000E-02
 O  -4.4900000E-02   3.362000     -0.5537000    
 O    3.678900       1.174200       1.926900    
 O   6.0300000E-02  -2.977500      -1.880000    
 O   -3.703700       1.070300       1.888500    
 C   2.9000000E-03  0.9132000     -0.1826000    
 C    1.240700       1.021700      0.7428000    
 C   2.7600000E-02 -0.4184000     -0.9741000    
 C   -1.254000      0.9819000      0.7217000    
 C   2.2800000E-02   2.092400      -1.190000    
 C    3.604700       1.056300      0.7119000    
 C   3.0400001E-02  -2.764100     -0.6761000    
 C   -3.617900      0.9775000      0.6721000    
 C    4.777700      0.9883000     -0.2035000    
 C   8.5000005E-03  -3.824600      0.3696000    
 C   -4.782500      0.9052000     -0.2538000    
 C    4.672500       1.501500      -1.606900    
 C  -0.6709000      -3.578600       1.681800    
 C   -4.674500      0.1580000      -1.547700    
 C    5.908100      0.4556000      0.2833000    
 C   0.6153000      -4.985400      8.1600003E-02
 C   -5.907700       1.530000      0.1227000    
 H    1.239200      0.1998000       1.470300    
 H    1.212200       1.964400       1.304300    
 H  -0.8459000     -0.4763000      -1.635900    
 H   0.9280000     -0.4698000      -1.599100    
 H   -1.248500       1.915900       1.298300    
 H   -1.247400      0.1510000       1.438800    
 H   0.9319000       2.068500      -1.801600    
 H  -0.8310000       2.020400      -1.873600    
 H  -3.1199999E-02   4.034700      -1.255600    
 H    3.984600      0.8832000      -2.192500    
 H    4.301100       2.531600      -1.607600    
 H    5.641000       1.499100      -2.118300    
 H  -0.1384000      -2.811500       2.253400    
 H   -1.699400      -3.240000       1.519200    
 H  -0.7142000      -4.483400       2.297500    
 H   -3.972400      0.6572000      -2.223300    
 H   -4.319300     -0.8621000      -1.368300    
 H   -5.638800      8.6499996E-02  -2.061900    
 H    6.798800      0.3764000     -0.3320000    
 H    5.980300      8.0200002E-02   1.298900    
 H   0.6356000      -5.798500      0.8003000    
 H    1.110700      -5.159100     -0.8680000    
 H   -6.792000       1.516000     -0.5065000    
 H   -5.981700       2.074600       1.058400    


%chk=000077057-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000077057

0 1
O 2.438657 1.030120 0.002920
O -0.015698 -1.390928 0.007806
O -2.439962 0.974206 -0.099789
O 0.001558 3.464721 -0.259593
O 3.710349 0.876756 1.948698
O -0.052401 -2.823871 -1.827001
O -3.782177 0.785944 1.795111
C 0.000379 1.046734 -0.098544
C 1.218391 1.114862 0.848418
C 0.024237 -0.246407 -0.937612
C -1.258670 1.106773 0.793313
C 0.018092 2.244554 -1.080327
C 3.652343 0.913068 0.695498
C -0.054016 -2.663461 -0.581427
C -3.675310 0.815506 0.544883
C 4.811563 0.840035 -0.255444
C -0.095008 -3.740349 0.462372
C -4.791750 0.690832 -0.450776
C 4.545382 0.895616 -1.745672
C -0.095493 -3.345572 1.924597
C -4.466423 0.735622 -1.929492
C 6.054168 0.725430 0.289403
C -0.130559 -5.028467 0.021786
C -6.050724 0.539938 0.045508
H 1.223327 0.275511 1.564763
H 1.238235 2.071682 1.396624
H -0.851088 -0.308239 -1.606697
H 0.947453 -0.316557 -1.538373
H -1.322375 2.075636 1.316480
H -1.275737 0.284656 1.528993
H 0.937076 2.198011 -1.698787
H -0.876818 2.196446 -1.733225
H 0.016614 4.260811 -0.844405
H 3.891119 0.063727 -2.063791
H 4.025617 1.831156 -2.020944
H 5.489422 0.836946 -2.313134
H 0.806463 -2.759949 2.178727
H -0.965029 -2.706796 2.163301
H -0.128030 -4.239169 2.570266
H -3.965601 1.683639 -2.196939
H -3.773401 -0.078924 -2.207989
H -5.383726 0.638588 -2.534292
H 6.949495 0.665512 -0.338583
H 6.182907 0.689689 1.376684
H -0.162094 -5.869655 0.722375
H -0.128516 -5.249788 -1.051111
H -6.917377 0.440890 -0.616783
H -6.221764 0.513214 1.127204


