%chk=000081196.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081196

0 1
 O    5.880000      0.3699000      0.2955000    
 O   -5.891800      0.3839000     -0.2956000    
 O    6.665300     -0.8750000      -1.474200    
 O   -6.684100     -0.8516000       1.477600    
 C   0.7390000       1.575100      0.3126000    
 C  -0.6497000       1.578400     -0.3305000    
 C    1.842500       1.577800     -0.7467000    
 C   -1.751200       1.608500      0.7309000    
 C    3.230700       1.541000     -0.1046000    
 C   -3.163900       1.523400      0.1453000    
 C    4.333100       1.503400      -1.167100    
 C   -4.306300       1.497300       1.167400    
 C    5.727100       1.499700     -0.5517000    
 C   -5.702800       1.505500      0.5550000    
 C    6.362000     -0.7634000     -0.2948000    
 C   -6.392600     -0.7412000      0.2952000    
 C    6.466100      -1.856900      0.7113000    
 C   -6.534000      -1.826800     -0.7149000    
 C    6.067300      -1.615000       2.135000    
 C   -6.146900      -1.587100      -2.142100    
 C    6.925300      -3.042900      0.2859000    
 C   -7.015200      -3.004100     -0.2896000    
 H   0.8442000      0.6903000      0.9521000    
 H   0.8487000       2.455400      0.9576000    
 H  -0.7655000      0.6844000     -0.9551000    
 H  -0.7538000       2.449200     -0.9888000    
 H    1.720100      0.7084000      -1.404200    
 H    1.749900       2.473000      -1.373500    
 H   -1.608100      0.7705000       1.424300    
 H   -1.662600       2.527500       1.323100    
 H    3.363800       2.423500      0.5328000    
 H    3.306300      0.6595000      0.5431000    
 H   -3.313400       2.378000     -0.5269000    
 H   -3.229400      0.6240000     -0.4798000    
 H    4.200700      0.6049000      -1.781700    
 H    4.237800       2.371200      -1.830100    
 H   -4.188300      0.6011000       1.788500    
 H   -4.210500       2.363700       1.832500    
 H    6.499300       1.532500      -1.329300    
 H    5.867100       2.393600      6.6100001E-02
 H   -5.830500       2.403200     -5.9999999E-02
 H   -6.470400       1.553700       1.336600    
 H    6.197300      -2.509300       2.753900    
 H    5.013300      -1.324200       2.194500    
 H    6.676800     -0.8189000       2.574900    
 H   -6.304700      -2.475100      -2.763700    
 H   -5.087300      -1.320000      -2.213000    
 H   -6.743300     -0.7751000      -2.570800    
 H    7.024300      -3.879300      0.9709000    
 H    7.215500      -3.223600     -0.7437000    
 H   -7.141500      -3.834600     -0.9773000    
 H   -7.297000      -3.183300      0.7426000    


%chk=000081196-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000081196

0 1
O 5.997803 0.311169 0.429085
O -5.990137 0.351872 -0.429190
O 6.728214 -0.755027 -1.516545
O -6.729278 -0.707106 1.517085
C 0.702430 1.646045 0.339414
C -0.684926 1.650069 -0.340921
C 1.876354 1.646664 -0.665319
C -1.858776 1.659446 0.663864
C 3.262226 1.619333 0.016523
C -3.244855 1.640382 -0.017811
C 4.427083 1.632561 -0.997183
C -4.409443 1.662460 0.996031
C 5.817799 1.574622 -0.350598
C -5.800603 1.614487 0.349595
C 6.455831 -0.800481 -0.290225
C -6.457090 -0.755610 0.290836
C 6.575383 -2.003530 0.602262
C -6.585974 -1.958344 -0.600769
C 6.193177 -1.872610 2.061804
C -6.203805 -1.831207 -2.060659
C 7.026881 -3.156193 0.034855
C -7.045510 -3.107304 -0.032302
H 0.784224 0.755644 0.997428
H 0.787683 2.531495 1.003917
H -0.772420 0.759385 -0.997824
H -0.764536 2.535218 -1.006518
H 1.783313 0.768698 -1.338320
H 1.802025 2.544292 -1.315018
H -1.771335 0.781717 1.337921
H -1.778577 2.557359 1.312480
H 3.354946 2.492467 0.696326
H 3.343716 0.717309 0.654945
H -3.331945 2.513298 -0.698636
H -3.332371 0.738147 -0.655144
H 4.328987 0.791087 -1.709579
H 4.382088 2.562482 -1.601873
H -4.317422 0.820530 1.708690
H -4.357609 2.592233 1.600403
H 6.614121 1.627852 -1.114125
H 5.952675 2.366071 0.405952
H -5.929534 2.406395 -0.407515
H -6.596494 1.674245 1.113084
H 6.324679 -2.833223 2.588189
H 5.142077 -1.549385 2.168818
H 6.807383 -1.104104 2.564259
H -6.343106 -2.791066 -2.586412
H -5.150316 -1.516169 -2.168629
H -6.812417 -1.058263 -2.563116
H 7.140676 -4.074362 0.621279
H 7.288217 -3.186719 -1.028572
H -7.166434 -4.024992 -0.618052
H -7.306377 -3.135235 1.031311


