%chk=000186446.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186446

0 1
O 3.741413 -1.945040 1.537606
O 0.205243 -1.048311 -0.555179
O 1.515303 2.926235 1.456839
O -0.982027 -2.141097 -2.141644
O -0.726449 1.910896 1.028871
O -0.716017 1.629672 -1.190112
C 2.590141 -0.986978 -0.383390
C 2.436746 0.294310 0.459560
C 2.709411 -2.205932 0.572146
C 2.438260 1.569692 -0.385244
C 1.425687 -1.170509 -1.359987
C 2.586275 2.836662 0.463391
C 3.004700 -3.512062 -0.155987
C 2.421177 4.112033 -0.347581
C -0.967068 -1.474776 -1.134739
C -2.118054 -1.020672 -0.302573
C -2.204809 0.288174 0.199569
C -3.141298 -1.941241 -0.039812
C -3.303286 0.663512 0.982756
C -4.240854 -1.558127 0.734463
C -4.319689 -0.260235 1.247664
C -1.153370 1.307735 -0.104109
H 3.525705 -0.910665 -0.991379
H 3.251950 0.316876 1.213405
H 1.484826 0.231074 1.032306
H 1.803404 -2.288567 1.218984
H 1.493833 1.622202 -0.978962
H 3.251947 1.543721 -1.135014
H 1.422171 -2.152483 -1.865170
H 1.373328 -0.362822 -2.113364
H 3.536475 2.834507 1.043460
H 2.127299 -3.879378 -0.703033
H 3.827084 -3.425800 -0.872658
H 3.280874 -4.295082 0.564534
H 3.266904 4.275722 -1.023502
H 2.340668 4.985952 0.314681
H 1.505743 4.095088 -0.956250
H 4.626711 -1.975778 1.130490
H 1.533507 2.143992 2.056469
H -3.078859 -2.953055 -0.447642
H -3.355623 1.676018 1.390431
H -5.037038 -2.275326 0.936717
H -5.174534 0.035392 1.857087
H 0.050089 2.615672 0.855000


%chk=000186446-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186446

0 1
O 4.040423 -1.989327 1.475987
O 0.219719 -1.097057 -0.504920
O 1.580203 2.923278 1.460470
O -0.995119 -1.999274 -2.284183
O -0.799716 1.901106 1.337433
O -0.649592 1.587701 -0.958041
C 2.660240 -0.992673 -0.335952
C 2.598973 0.351338 0.442537
C 2.807436 -2.175421 0.668365
C 2.571852 1.610941 -0.449918
C 1.477158 -1.176056 -1.300527
C 2.593055 2.937545 0.344979
C 2.802272 -3.573117 0.026648
C 2.244278 4.151639 -0.518289
C -0.964417 -1.399420 -1.184273
C -2.162778 -0.984336 -0.387471
C -2.211515 0.239332 0.340497
C -3.261466 -1.875072 -0.336331
C -3.332464 0.519661 1.156814
C -4.387174 -1.576473 0.460562
C -4.415775 -0.383926 1.219967
C -1.148677 1.286395 0.160960
H 3.569250 -0.990308 -0.981311
H 3.469102 0.374878 1.128422
H 1.685847 0.326754 1.068065
H 2.002782 -2.106634 1.421032
H 1.664500 1.610627 -1.079516
H 3.452313 1.617679 -1.126134
H 1.508288 -2.142699 -1.831472
H 1.434777 -0.369910 -2.054644
H 3.582549 3.075380 0.829581
H 1.811452 -3.832057 -0.385606
H 3.544104 -3.646458 -0.793824
H 3.054910 -4.326693 0.792720
H 2.951150 4.232001 -1.363764
H 2.290860 5.082949 0.070938
H 1.226137 4.039268 -0.930799
H 4.820931 -2.176138 0.892325
H 1.930389 2.384399 2.212813
H -3.214630 -2.801820 -0.917381
H -3.349519 1.454000 1.725702
H -5.231216 -2.273249 0.496226
H -5.281654 -0.153504 1.849835
H 0.068663 2.465949 1.250577


