%chk=000181514.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181514

0 1
O 1.868979 -0.843595 -1.919674
O -1.776326 -1.096730 -0.167544
O 2.103771 -3.016652 -0.313658
O 2.075633 1.480890 -0.823667
O -3.486576 -2.449863 0.080414
C 0.835065 -1.062802 -0.961964
C 0.151787 0.200118 -0.508666
C 1.418287 -1.884252 0.227645
C -1.203912 0.136614 -0.118567
C 0.758204 1.466294 -0.451005
C -1.938075 1.272914 0.303246
C 2.346740 -1.081831 1.122798
C 0.053083 2.624430 -0.036269
C -1.274635 2.519479 0.333614
C -3.320607 1.099025 0.673950
C 3.730664 -0.864395 0.601838
C -3.899321 -0.121636 0.620221
C -3.172502 -1.301016 0.195933
C 1.925773 -0.609903 2.297694
C 2.785179 2.746996 -0.853584
H 0.120478 -1.707544 -1.543217
H 0.590322 -2.353704 0.814386
H 0.549394 3.589700 -0.004780
H -1.824421 3.406957 0.655264
H 2.568113 -0.229993 -1.565902
H -3.882341 1.980180 0.997022
H 4.226852 -1.830777 0.415686
H 3.707007 -0.305946 -0.349498
H 4.363637 -0.305146 1.301162
H 2.599962 -2.755226 -1.130572
H -4.943187 -0.294190 0.890698
H 0.931734 -0.768888 2.686448
H 2.547948 -0.037287 2.967160
H 3.777433 2.436692 -1.208223
H 2.841794 3.169550 0.154083
H 2.311263 3.429337 -1.565771


%chk=000181514-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181514

0 1
O 1.824106 -0.880224 -2.046305
O -1.839390 -1.131788 -0.162713
O 2.169274 -3.030132 -0.390976
O 2.078438 1.512378 -0.902437
O -3.667337 -2.507545 0.154779
C 0.831431 -1.078244 -0.974278
C 0.116436 0.193175 -0.545202
C 1.490289 -1.881251 0.215820
C -1.237895 0.132006 -0.140744
C 0.731202 1.474191 -0.499718
C -1.976378 1.278646 0.284618
C 2.429385 -1.083215 1.127323
C 0.028450 2.638254 -0.085697
C -1.314057 2.533542 0.302767
C -3.356976 1.097084 0.673286
C 3.881813 -0.980684 0.706325
C -3.957669 -0.141878 0.642494
C -3.240037 -1.342256 0.220647
C 1.962296 -0.543174 2.284019
C 2.819813 2.775981 -0.801488
H 0.093458 -1.771725 -1.409804
H 0.662507 -2.297315 0.816121
H 0.524319 3.611562 -0.065750
H -1.862977 3.425033 0.625746
H 2.294785 -0.018754 -1.866246
H -3.928866 1.974363 0.998019
H 4.324387 -1.991335 0.640109
H 3.986812 -0.520782 -0.294754
H 4.467203 -0.385939 1.428423
H 2.539181 -2.700468 -1.257547
H -5.000487 -0.292334 0.932041
H 0.921130 -0.675660 2.603873
H 2.610344 0.032977 2.955306
H 3.843304 2.532278 -1.120674
H 2.828656 3.138752 0.242217
H 2.390249 3.542279 -1.472898


