%chk=000005491.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005491

0 1
 O   -2.526100       2.079300      4.8700001E-02
 O    5.055600      -2.230900     -0.2579000    
 O    4.069100       2.403100      0.3227000    
 O   -6.030200      -1.144500      1.5699999E-02
 C   -1.982100     -0.2541000      0.2380000    
 C    1.868100     -0.4724000     -8.6599998E-02
 C   -2.916000      0.7738000      0.1067000    
 C  -0.5560000      3.2099999E-02  0.3179000    
 C   0.4266000     -0.7713000     -0.1503000    
 C    2.282100      0.8378000      8.9500003E-02
 C    2.781400      -1.507600     -0.2040000    
 C   -2.408600      -1.581000      0.2943000    
 C    4.146000      -1.224800     -0.1439000    
 C    3.646700       1.120800      0.1499000    
 C   -4.276400      0.4747000      3.2000002E-02
 C   -4.702700     -0.8523000      8.8500001E-02
 C    4.578700      8.9500003E-02  3.3199999E-02
 C   -3.768800      -1.880100      0.2196000    
 C   -2.253900       2.616100      -1.243600    
 C    6.434300      -1.870800     -0.1875000    
 C    3.063000       3.408600      0.4349000    
 C   -6.930500     -4.5800000E-02 -0.1178000    
 H  -0.3184000      0.9663000      0.8181000    
 H   0.1792000      -1.708900     -0.6427000    
 H    1.542200       1.625200      0.1449000    
 H    2.453700      -2.535300     -0.3406000    
 H   -1.713500      -2.407700      0.4160000    
 H   -4.954700       1.315800     -6.8000004E-02
 H    5.624500      0.3733000      8.8000000E-02
 H   -4.095900      -2.915200      0.2683000    
 H   -3.158300       2.604900      -1.860200    
 H   -1.455400       2.055700      -1.739900    
 H   -1.927700       3.652600      -1.121600    
 H    6.721400      -1.213200      -1.015000    
 H    7.014800      -2.792800     -0.2965000    
 H    6.690200      -1.446000      0.7891000    
 H    2.433600       3.254000       1.318100    
 H    2.476800       3.496900     -0.4861000    
 H    3.578000       4.364700      0.5759000    
 H   -7.942800     -0.4611000     -0.1614000    
 H   -6.767500      0.4968000      -1.055200    
 H   -6.893400      0.6136000      0.7561000    


%chk=000005491-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005491

0 1
O -2.629809 2.140436 -0.318889
O 5.049993 -2.232653 -0.446627
O 4.297861 2.449046 0.598483
O -6.175512 -1.217978 0.220162
C -2.029092 -0.223264 0.070640
C 1.880230 -0.388800 0.024992
C -3.019076 0.786768 -0.117335
C -0.605568 0.135339 0.078208
C 0.449559 -0.734690 -0.022839
C 2.344281 0.934186 0.306030
C 2.825520 -1.414870 -0.215899
C -2.509166 -1.550943 0.290475
C 4.214140 -1.134303 -0.188576
C 3.728052 1.191514 0.330212
C -4.402129 0.509475 -0.078361
C -4.834035 -0.818393 0.147672
C 4.680917 0.167506 0.082370
C -3.877158 -1.853012 0.324801
C -2.279585 2.461034 -1.716970
C 6.495278 -1.998605 -0.426831
C 3.385640 3.558301 0.881173
C -7.199116 -0.180069 0.071910
H -0.410974 1.211133 0.178372
H 0.241860 -1.803961 -0.172329
H 1.624510 1.728972 0.515669
H 2.502206 -2.438260 -0.431646
H -1.788332 -2.355904 0.468917
H -5.099226 1.340732 -0.214642
H 5.741424 0.427273 0.117423
H -4.233901 -2.870930 0.506833
H -3.149302 2.300415 -2.383924
H -1.430758 1.843056 -2.068838
H -1.997721 3.525362 -1.718680
H 6.794357 -1.261897 -1.197908
H 6.947932 -2.975730 -0.650762
H 6.832919 -1.648687 0.568279
H 2.772120 3.356676 1.780848
H 2.720676 3.763424 0.019352
H 4.036193 4.426620 1.062448
H -8.159303 -0.706277 0.174265
H -7.141261 0.301889 -0.923572
H -7.107544 0.589868 0.862395


