%chk=000186728.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186728

0 1
O 0.065630 -2.772177 -0.615057
O 2.597486 -1.945277 -0.814258
O -4.237454 -0.631867 -0.104538
C 0.460289 -1.664657 0.200675
C -0.646443 -0.631351 0.078785
C 2.115621 0.285740 -0.088010
C -0.311549 0.748516 0.073013
C 1.837830 -1.148885 -0.304034
C 3.571684 0.701542 -0.109039
C 1.093059 1.147008 0.090251
C 0.619110 -2.127518 1.650585
C -1.352700 1.701535 0.018033
C -1.963904 -1.056784 0.017506
C 3.816828 1.814038 -1.135889
C 4.022370 1.127671 1.294162
C -2.982552 -0.082076 -0.045882
C -2.692300 1.285775 -0.038249
C -1.059950 3.167983 0.009809
C -5.373415 0.263405 -0.195730
H 4.183980 -0.190528 -0.419386
H 1.300963 2.210929 0.238992
H 1.429255 -2.859930 1.752366
H 0.822898 -1.291284 2.328551
H -0.301413 -2.621880 1.992742
H -2.213509 -2.119612 -0.008499
H 3.319367 2.748967 -0.862051
H 3.450502 1.519996 -2.126955
H 4.886921 2.028714 -1.232788
H 3.862091 0.324659 2.022150
H 3.478258 2.008317 1.649618
H 5.089847 1.374139 1.305860
H -3.483694 2.025831 -0.081084
H 0.867651 -3.291298 -0.892016
H -0.470533 3.451807 -0.875183
H -1.970033 3.783017 -0.008019
H -0.491158 3.471882 0.900608
H -5.434922 0.890855 0.697677
H -6.211436 -0.445406 -0.238241
H -5.316277 0.857302 -1.112375


%chk=000186728-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186728

0 1
O 0.131372 -2.918266 -0.570782
O 2.685538 -2.046274 -0.692920
O -4.309228 -0.638761 -0.257315
C 0.454710 -1.709542 0.182857
C -0.654962 -0.680702 0.037156
C 2.151701 0.230253 -0.039979
C -0.317500 0.709894 0.127615
C 1.848240 -1.192060 -0.243931
C 3.605060 0.694302 -0.128344
C 1.087735 1.097793 0.150502
C 0.587198 -2.083785 1.701258
C -1.369140 1.682255 0.127930
C -1.983334 -1.097318 -0.090399
C 3.822902 1.728712 -1.263566
C 4.094365 1.253617 1.234770
C -3.016548 -0.127171 -0.112571
C -2.710292 1.252401 0.011382
C -1.079359 3.171182 0.232361
C -5.425671 0.310714 -0.306444
H 4.204503 -0.204037 -0.369067
H 1.311335 2.166827 0.258126
H 1.413869 -2.804601 1.830443
H 0.775531 -1.196812 2.331697
H -0.356314 -2.557590 2.020069
H -2.226205 -2.157638 -0.193713
H 3.255362 2.660308 -1.075649
H 3.499653 1.322135 -2.238390
H 4.892865 1.997510 -1.339473
H 3.980543 0.505048 2.039672
H 3.522113 2.155613 1.524733
H 5.162155 1.534949 1.175922
H -3.506820 2.002803 0.007824
H 1.011266 -3.286879 -0.872027
H -0.478901 3.532380 -0.623847
H -2.016025 3.752772 0.248539
H -0.518579 3.418010 1.153281
H -5.501663 0.889911 0.633954
H -6.323359 -0.311446 -0.432838
H -5.325716 1.002589 -1.164736


