%chk=000196827.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196827

0 1
O 3.115986 1.580832 0.210590
O -1.386704 1.157884 0.062334
O -1.756677 -1.288185 -0.045301
O 0.410673 -2.217170 -1.184861
O 3.085927 3.681412 -0.559427
O -2.464809 1.673579 1.982005
O -2.423546 -3.383161 -0.650585
C 0.890146 0.818728 -0.340521
C 2.296153 0.356795 0.140124
C -0.149989 0.850987 0.794929
C 3.015355 -0.577357 -0.830258
C 3.759856 -1.767411 -0.190137
C -0.331580 -0.427017 1.617450
C -0.718764 -1.717435 0.877351
C 2.873702 -3.024673 -0.061141
C 1.128394 2.211542 -0.872448
C 1.613123 -2.864132 0.792700
C 0.457893 -2.272665 0.020763
C 2.498712 2.640620 -0.447778
C 4.441475 -1.405461 1.131554
C -1.248676 -2.772812 1.837090
C 0.297099 2.964021 -1.585322
C -2.482291 1.581568 0.775816
C -2.471222 -2.189467 -0.816679
C -3.603033 1.894071 -0.168781
C -3.276177 -1.402991 -1.790408
C -4.951655 1.586851 0.382954
C -3.361871 2.418821 -1.371034
H 0.497682 0.148694 -1.153784
H 2.300431 -0.005764 1.187483
H 0.035325 1.706958 1.489858
H 3.755060 0.031319 -1.398669
H 2.311193 -0.965236 -1.599211
H 4.576140 -2.042281 -0.914877
H 0.578897 -0.609841 2.224060
H -1.138756 -0.207530 2.364949
H 3.487260 -3.847756 0.356856
H 2.575850 -3.359288 -1.080042
H 1.837248 -2.268661 1.699756
H 1.296030 -3.863519 1.168113
H 4.966311 -0.442397 1.052348
H 3.732792 -1.318122 1.961105
H 5.183354 -2.159163 1.416717
H -0.563225 -2.979932 2.663731
H -2.206963 -2.458817 2.275713
H -1.459311 -3.724438 1.316736
H -0.707729 2.633799 -1.854025
H 0.552162 3.959835 -1.933800
H -2.931218 -1.608523 -2.817917
H -3.182220 -0.314490 -1.626695
H -4.339815 -1.675614 -1.739244
H -5.124032 0.501032 0.436305
H -5.061281 1.975827 1.410656
H -5.761871 2.021296 -0.217414
H -4.139728 2.688937 -2.071968
H -2.354584 2.614500 -1.738622


%chk=000196827-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196827

0 1
O 2.958585 1.595809 0.731131
O -1.478135 1.227492 -0.047360
O -1.950213 -1.633382 -0.101858
O 0.436707 -2.085376 -1.357913
O 2.939585 3.864933 0.195545
O -2.507735 1.902386 1.933728
O -1.926674 -3.842300 -0.886869
C 0.878410 0.872091 -0.315762
C 2.240746 0.356191 0.252074
C -0.273713 0.808928 0.727392
C 3.142929 -0.390452 -0.764425
C 3.845897 -1.681580 -0.241056
C -0.522846 -0.513890 1.496712
C -0.763589 -1.872982 0.771996
C 2.945594 -2.954767 -0.262190
C 1.194489 2.317663 -0.668520
C 1.648614 -2.931832 0.582444
C 0.452104 -2.283088 -0.117408
C 2.421968 2.739280 0.084867
C 4.548225 -1.469093 1.122793
C -1.104803 -2.936989 1.845716
C 0.525715 3.168308 -1.484189
C -2.543967 1.757906 0.683761
C -2.393861 -2.682914 -0.925676
C -3.713108 2.139298 -0.171895
C -3.485163 -2.192445 -1.847713
C -4.820583 2.873239 0.554818
C -3.750896 1.814382 -1.494321
H 0.572558 0.289995 -1.197804
H 2.108250 -0.232908 1.170868
H -0.111532 1.575332 1.513218
H 3.925971 0.324748 -1.080491
H 2.556018 -0.651555 -1.663585
H 4.647245 -1.894362 -0.979584
H 0.321701 -0.654575 2.197987
H -1.407699 -0.335237 2.134480
H 3.565919 -3.805163 0.082648
H 2.656806 -3.170192 -1.308359
H 1.807548 -2.484965 1.583435
H 1.331005 -3.976953 0.787446
H 5.190915 -0.570675 1.099837
H 3.834000 -1.331612 1.956416
H 5.179860 -2.341125 1.374034
H -0.315219 -2.988046 2.615510
H -2.045620 -2.647034 2.345669
H -1.236975 -3.931205 1.394290
H -0.375452 2.861854 -2.023410
H 0.884178 4.197345 -1.607499
H -3.019425 -1.842348 -2.787592
H -4.034623 -1.348828 -1.402797
H -4.167983 -3.020664 -2.091702
H -5.190177 2.277022 1.408277
H -4.449371 3.823880 0.979376
H -5.662142 3.091619 -0.123044
H -4.610172 2.086907 -2.117777
H -2.927363 1.270527 -1.966573


