%chk=000008767.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008767

0 1
 O   0.1945000     -0.6955000      0.4394000    
 O   -1.815600      -1.593200       1.128000    
 C    2.865000      -1.575100     -0.4787000    
 C    4.385100      -1.321700     -0.6086000    
 C    2.394400      -1.471300      0.9841000    
 C    4.893100     -2.4000001E-03 -9.1000004E-03
 C    2.539400      -2.949800      -1.076100    
 C   0.8971000      -1.694700       1.168300    
 C    4.304400       1.206300     -0.6816000    
 C    3.647800       2.239300     -0.1199000    
 C   -1.173100     -0.7595000      0.5041000    
 C   -1.760100      0.3624000     -0.3188000    
 C    3.429000       2.279200       1.369900    
 C    3.083200       3.420600     -0.8563000    
 C   -3.266100      0.3958000     -0.2781000    
 C   -3.989800     -0.3180000      -1.222300    
 C   -3.905800       1.139100      0.7031000    
 C   -5.383900     -0.2874000      -1.184700    
 C   -5.299800       1.169600      0.7407000    
 C   -6.038800      0.4562000     -0.2032000    
 H    2.340600     -0.8197000      -1.077200    
 H    4.928200      -2.143200     -0.1223000    
 H    4.663100      -1.360600      -1.670500    
 H    2.622000     -0.4750000       1.372000    
 H    2.941700      -2.193100       1.602300    
 H    4.761000     -2.1800000E-02   1.073000    
 H    5.979000      3.9099999E-02 -0.1658000    
 H    2.945800      -3.758400     -0.4594000    
 H    1.459900      -3.099200      -1.172900    
 H    2.964000      -3.046200      -2.081500    
 H   0.5941000      -2.693700      0.8388000    
 H   0.6532000      -1.596600       2.233000    
 H    4.446100       1.236900      -1.761500    
 H   -1.421300      0.2477000      -1.355600    
 H   -1.361600       1.314000      5.3599998E-02
 H    2.392300       2.015100       1.602800    
 H    4.091200       1.637500       1.951700    
 H    3.605400       3.295500       1.742000    
 H    3.247600       3.336700      -1.935600    
 H    3.556800       4.347100     -0.5167000    
 H    2.004100       3.494500     -0.6875000    
 H   -3.489200     -0.9020000      -1.989400    
 H   -3.339500       1.696300       1.444000    
 H   -5.959300     -0.8433000      -1.919200    
 H   -5.810100       1.748100       1.505300    
 H   -7.124200      0.4797000     -0.1737000    


%chk=000008767-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000008767

0 1
O 0.439500 -0.792060 1.913402
O -1.372390 -1.764143 3.014782
C 2.356777 -1.733545 -0.261498
C 3.672800 -1.211503 -0.900912
C 2.514211 -1.887192 1.276416
C 3.962294 0.297491 -0.655554
C 1.931901 -3.067636 -0.919814
C 1.202892 -2.074265 2.040888
C 3.017679 1.211175 -1.413203
C 2.268344 2.249674 -0.939532
C -0.858166 -0.785696 2.428286
C -1.538283 0.551071 2.142531
C 2.219318 2.688499 0.513872
C 1.408678 3.082616 -1.879459
C -2.190251 0.557444 0.758341
C -1.397202 0.692142 -0.410523
C -3.593030 0.411464 0.624034
C -1.999376 0.691075 -1.688082
C -4.196380 0.407969 -0.654955
C -3.401384 0.549838 -1.815211
H 1.566339 -0.979418 -0.450234
H 4.524362 -1.815859 -0.522778
H 3.631901 -1.383796 -1.996227
H 3.031811 -1.003740 1.696964
H 3.158907 -2.766035 1.488150
H 3.947265 0.518223 0.427661
H 5.000145 0.503467 -0.994202
H 2.722327 -3.834838 -0.800569
H 0.999503 -3.472476 -0.484876
H 1.756297 -2.931363 -2.002879
H 0.577520 -2.891567 1.639753
H 1.370117 -2.264515 3.116905
H 2.961383 1.001615 -2.494750
H -0.778856 1.349475 2.210630
H -2.297828 0.709877 2.925268
H 1.170242 2.737261 0.868971
H 2.773063 2.016425 1.188644
H 2.637303 3.708797 0.628109
H 1.488454 2.735945 -2.924877
H 1.708964 4.149256 -1.849489
H 0.341094 3.047897 -1.582944
H -0.308666 0.786598 -0.319077
H -4.212953 0.296325 1.521019
H -1.374690 0.798279 -2.582347
H -5.282812 0.295649 -0.744150
H -3.868226 0.549401 -2.806582


