%chk=000075639.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000075639

0 1
 O    2.515300     -0.9654000     -3.0000001E-04
 O   -3.615500      0.2179000     -3.0000001E-04
 O   -2.910400       2.409200     -1.5000000E-03
 C   0.3182000      -2.769700      8.9999998E-04
 C    2.252300       1.865600     -2.7999999E-03
 C   0.1422000      -1.242100      7.9999998E-04
 C    1.078000      0.9434000     -2.6000000E-03
 C    1.256300     -0.4402000     -1.2000001E-03
 C    1.098100      -3.202700       1.261200    
 C   -1.066800      -3.452200      1.5000000E-03
 C    1.092500      -3.310000      -1.222700    
 C    1.918300       3.204100      0.7246000    
 C    2.694100       2.216200      -1.456800    
 C    3.535700       1.315800      0.7024000    
 C   -1.140000     -0.7489000      1.1000000E-03
 C  -0.2093000       1.480600     -2.0999999E-03
 C   -1.318200      0.6343000     -3.0000001E-04
 C   -2.659400       1.196700     -3.9999999E-04
 C   -4.981200      0.6473000     -1.7000000E-03
 H   0.6438000      -2.785900       2.168100    
 H    1.085100      -4.294700       1.365700    
 H    2.151200      -2.909900       1.254600    
 H   -1.649900      -3.234300     -0.9016000    
 H   -1.654200      -3.222100      0.8990000    
 H  -0.9433000      -4.543700      1.3100000E-02
 H    2.136900      -2.987900      -1.250100    
 H   0.6244000      -2.974700      -2.155700    
 H    1.101800      -4.406500      -1.231200    
 H    2.816100       3.823300      0.8441000    
 H    1.511300       3.025500       1.726900    
 H    1.213600       3.826800      0.1629000    
 H    2.985300       1.317800      -2.012700    
 H    3.545100       2.906800      -1.459000    
 H    1.876000       2.691400      -2.011000    
 H    4.122100      0.6328000      8.0899999E-02
 H    3.297500      0.8368000       1.659200    
 H    4.231900       2.134100      0.9288000    
 H   -2.021300      -1.370900      7.9999998E-04
 H  -0.3844000       2.550000     -3.1500001E-02
 H    2.905100     -0.7457000     -0.8650000    
 H   -5.193000       1.233100      0.8977000    
 H   -5.617500     -0.2415000     -1.5000000E-03
 H   -5.191600       1.231700     -0.9023000    


%chk=000075639-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000075639

0 1
O 2.518326 -1.050552 -0.184459
O -3.714343 0.258593 0.213567
O -2.928688 2.450614 0.300354
C 0.323185 -2.904062 -0.160064
C 2.311418 1.935019 -0.015898
C 0.134399 -1.367473 -0.069608
C 1.094280 0.965895 0.002783
C 1.243087 -0.459478 -0.081787
C 1.168960 -3.414488 1.047127
C -1.037993 -3.651492 -0.122439
C 1.024952 -3.280777 -1.501085
C 1.860673 3.418601 0.086738
C 3.099289 1.813626 -1.362539
C 3.247558 1.680295 1.212013
C -1.151716 -0.796911 0.028302
C -0.220991 1.463497 0.101667
C -1.341709 0.602714 0.113964
C -2.688536 1.217814 0.216293
C -5.085854 0.802317 0.314650
H 0.666850 -3.176621 2.003438
H 1.280998 -4.513421 0.983284
H 2.172154 -2.961621 1.054865
H -1.690167 -3.370768 -0.970230
H -1.587887 -3.468160 0.819349
H -0.850311 -4.738535 -0.192281
H 2.019260 -2.815017 -1.579220
H 0.414029 -2.957285 -2.364365
H 1.147267 -4.378969 -1.560296
H 2.752745 4.070985 0.066470
H 1.318643 3.620263 1.027855
H 1.211917 3.711011 -0.758214
H 3.517097 0.809860 -1.567642
H 3.944438 2.526441 -1.368405
H 2.435321 2.058263 -2.210690
H 3.682991 0.664230 1.262951
H 2.685363 1.827902 2.151459
H 4.089546 2.396491 1.196589
H -2.036240 -1.434290 0.040604
H -0.414233 2.536040 0.170268
H 3.221964 -0.358255 -0.179942
H -5.208531 1.364339 1.256133
H -5.740850 -0.080234 0.291944
H -5.296461 1.475797 -0.533500


