%chk=000188708.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188708

0 1
O -4.418665 -0.667101 1.189614
O -1.949363 1.801357 0.082134
O -3.668703 -1.437984 -2.069022
O 2.462973 0.117258 0.038360
O -1.476644 3.964863 0.385929
O 3.609301 -0.472622 -1.813468
C -3.373981 -0.734115 0.173479
C -1.938036 -0.548238 0.663549
C -1.313353 -1.967253 0.500364
C -3.447465 -1.956996 -0.747284
C -1.245066 0.534614 -0.167118
C -4.392965 0.364883 0.144635
C -2.064551 -2.631308 -0.677566
C 0.231433 0.803493 0.233340
C 0.188494 -2.018490 0.334200
C 1.192286 0.060107 -0.701996
C 0.783670 -1.403681 -0.906105
C 0.346277 2.304028 0.235710
C -1.045366 2.854366 0.251153
C 0.960672 -2.599272 1.256257
C 1.449740 3.043675 0.257261
C 3.625889 -0.175104 -0.641606
C 4.799922 -0.041808 0.276868
C 4.582913 -0.476196 1.684421
C 5.947218 0.432718 -0.212164
H -1.944852 -0.248276 1.739555
H -1.584304 -2.530886 1.433900
H -4.283237 -2.629346 -0.464483
H -1.376591 0.360469 -1.259085
H -4.126782 1.364423 0.497136
H -5.225226 0.323743 -0.554100
H -1.527898 -2.472561 -1.635176
H -2.136024 -3.721032 -0.538426
H 0.427479 0.440408 1.281332
H 1.350953 0.579070 -1.673028
H 1.672333 -1.983725 -1.243961
H 0.069699 -1.475195 -1.757104
H -4.012702 -2.137861 -2.657228
H 0.585982 -3.054468 2.160460
H 2.036793 -2.656435 1.175396
H 2.444816 2.607665 0.258716
H 1.434633 4.129078 0.277343
H 3.629532 -0.088677 2.082690
H 4.538860 -1.573426 1.758475
H 5.382166 -0.136340 2.356749
H 6.840639 0.555566 0.386468
H 6.080603 0.725311 -1.248172


%chk=000188708-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188708

0 1
O -4.507013 -1.125669 1.107040
O -2.018607 1.855205 0.273009
O -2.875196 -1.072428 -2.233169
O 2.461725 0.083644 0.117060
O -1.440794 4.085536 0.612670
O 3.560336 -0.259148 -1.915262
C -3.424980 -0.801460 0.098365
C -2.024356 -0.562249 0.667327
C -1.368811 -2.000882 0.578838
C -3.300191 -1.823794 -1.025097
C -1.306102 0.575814 -0.084748
C -4.579635 0.121023 0.240707
C -2.192926 -2.783227 -0.521463
C 0.178646 0.813602 0.322070
C 0.137590 -2.091951 0.351980
C 1.148695 0.066017 -0.605000
C 0.711364 -1.398334 -0.878687
C 0.298603 2.328200 0.349022
C -1.083642 2.908854 0.429402
C 0.934510 -2.789334 1.204038
C 1.399284 3.119165 0.326937
C 3.611185 -0.097346 -0.670247
C 4.849601 -0.060412 0.176896
C 4.707923 0.110470 1.675231
C 6.044000 -0.185003 -0.465922
H -2.094044 -0.251199 1.726157
H -1.581265 -2.479763 1.551838
H -4.264342 -2.335431 -1.208645
H -1.419923 0.462676 -1.177166
H -4.435654 1.064001 0.776587
H -5.373752 0.102844 -0.515009
H -1.549018 -3.115861 -1.355670
H -2.640914 -3.686546 -0.072234
H 0.332016 0.418906 1.347211
H 1.291146 0.593498 -1.566859
H 1.583639 -1.942397 -1.279038
H -0.043020 -1.368470 -1.689055
H -2.894738 -1.685358 -3.010980
H 0.532770 -3.273863 2.102342
H 2.009588 -2.901466 1.022824
H 2.411158 2.706174 0.281271
H 1.281408 4.208726 0.357083
H 4.199286 1.059856 1.922722
H 4.089267 -0.694685 2.110725
H 5.696449 0.102796 2.164407
H 6.991490 -0.166973 0.083127
H 6.080747 -0.305059 -1.554232


