%chk=000186527.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186527

0 1
O 1.983954 -1.392808 -0.787941
O 0.743012 0.881344 -1.070389
O 3.793065 -2.441085 -1.648828
O 1.905482 1.770293 -2.788813
C 1.425182 -1.220373 -2.129853
C 0.283166 -0.200668 -1.944788
C 0.874694 -2.547173 -2.649245
C -0.953099 -0.742113 -1.275977
C -0.159854 -3.136084 -1.686895
C -1.186063 -2.144811 -1.210647
C -1.885324 0.143999 -0.761193
C -2.368701 -2.605634 -0.651736
C -3.091419 -0.313890 -0.174593
C -3.333471 -1.707558 -0.131061
C -4.081345 0.603557 0.374604
C -4.564042 -2.203410 0.450005
C -5.271391 0.082175 0.935951
C -5.487379 -1.349412 0.958003
C 3.205748 -2.020524 -0.676397
C 1.590320 1.823795 -1.620019
C -3.890759 2.011406 0.365259
C -6.243441 0.967630 1.472817
C -4.846819 2.857883 0.891950
C 3.619044 -2.078951 0.745761
C -6.034848 2.332674 1.451115
C 1.981135 2.823024 -0.600339
C 4.857433 -2.665623 1.053474
C 2.803818 -1.564553 1.765182
C 2.739287 3.930878 -1.013942
C 1.617539 2.673981 0.746612
C 5.275595 -2.737301 2.383664
C 3.229180 -1.641057 3.093564
C 3.126876 4.890269 -0.076583
C 2.009573 3.638343 1.677920
C 4.462259 -2.226136 3.401703
C 2.762165 4.744069 1.266814
H 2.236324 -0.811621 -2.777720
H 0.030111 0.249214 -2.939550
H 0.432857 -2.399386 -3.654667
H 1.713458 -3.263441 -2.790710
H -0.651012 -4.009474 -2.162125
H 0.367895 -3.534085 -0.788425
H -1.683371 1.218602 -0.799065
H -2.569049 -3.675095 -0.599482
H -4.721314 -3.281364 0.464560
H -6.415571 -1.716212 1.396103
H -2.975271 2.420185 -0.065133
H -7.155832 0.555550 1.901568
H -4.695332 3.936189 0.881115
H -6.778034 3.014142 1.861155
H 5.482945 -3.060270 0.248137
H 1.842315 -1.108029 1.509180
H 3.020975 4.030588 -2.065856
H 1.031800 1.802979 1.054844
H 6.235145 -3.190823 2.627699
H 2.599362 -1.245088 3.888683
H 3.714862 5.751211 -0.391932
H 1.729778 3.527706 2.724557
H 4.791502 -2.284160 4.439286
H 3.067184 5.494726 1.996317


%chk=000186527-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186527

0 1
O 1.949582 -1.546862 -0.590306
O 0.837523 1.005456 -1.049345
O 4.064278 -2.122297 -1.394914
O 1.704039 1.968910 -2.994223
C 1.524821 -1.196427 -1.976213
C 0.393923 -0.167185 -1.852212
C 0.994710 -2.452825 -2.690154
C -0.881588 -0.725983 -1.237871
C -0.129186 -3.119328 -1.865929
C -1.153877 -2.132686 -1.314116
C -1.818683 0.143016 -0.658207
C -2.380196 -2.596860 -0.817333
C -3.059668 -0.317954 -0.133019
C -3.344328 -1.728548 -0.227740
C -4.045524 0.572343 0.487830
C -4.596456 -2.245280 0.279370
C -5.280664 0.013539 0.983522
C -5.526924 -1.407159 0.861541
C 3.266488 -1.993481 -0.432302
C 1.510548 2.017529 -1.753048
C -3.841145 1.979529 0.629606
C -6.251133 0.868009 1.592463
C -4.805822 2.800482 1.230745
C 3.581551 -2.287074 0.995720
C -6.023134 2.243518 1.717573
C 1.940362 3.124544 -0.853990
C 4.882942 -2.759599 1.307855
C 2.624351 -2.106911 2.028575
C 2.563510 4.256002 -1.442664
C 1.751301 3.068041 0.551997
C 5.225069 -3.050436 2.644087
C 2.971964 -2.400844 3.363983
C 2.989351 5.326848 -0.631429
C 2.181276 4.142277 1.358978
C 4.270221 -2.872058 3.674149
C 2.798390 5.272049 0.770422
H 2.391728 -0.767940 -2.507780
H 0.200685 0.203804 -2.880197
H 0.616654 -2.145462 -3.685124
H 1.827361 -3.156932 -2.859253
H -0.636362 -3.888158 -2.478182
H 0.329471 -3.653876 -1.010646
H -1.561676 1.204388 -0.606964
H -2.608480 -3.669518 -0.871022
H -4.790874 -3.320923 0.193454
H -6.473617 -1.805655 1.245383
H -2.915855 2.437201 0.266204
H -7.183878 0.425808 1.962908
H -4.622405 3.876352 1.326010
H -6.773256 2.890064 2.185734
H 5.603487 -2.888415 0.493354
H 1.626150 -1.740051 1.773546
H 2.703483 4.272776 -2.528581
H 1.280265 2.185344 0.993370
H 6.229873 -3.414118 2.884434
H 2.234309 -2.263147 4.161967
H 3.469463 6.199871 -1.086163
H 2.039561 4.099381 2.444209
H 4.536670 -3.098926 4.712681
H 3.131669 6.104036 1.400956


