%chk=000298241.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298241

0 1
O -0.290111 -2.192974 1.569511
O 0.596944 1.102603 0.286463
O -2.539356 -0.504572 -0.018759
O 0.469754 -2.100042 -0.643785
O 0.332937 0.993416 3.144280
O 0.346269 3.097728 1.309113
O -2.692995 0.383508 -2.092595
C -0.645032 0.627427 0.892229
C -1.087517 -0.467623 -0.094087
C -0.387990 0.086336 2.315407
C -0.650892 -1.915632 0.232304
C 0.478095 -1.180753 2.257034
C 1.266950 -3.289038 -0.430875
C 0.987203 2.402640 0.546975
C -3.263201 -0.042399 -1.117942
C 2.648313 -2.890441 0.019185
C 2.206584 2.739545 -0.215641
C -4.711807 -0.171003 -0.855822
C 3.101236 -1.573981 -0.133372
C 3.495265 -3.860992 0.575491
C 2.725611 4.040164 -0.097740
C 2.837827 1.795280 -1.039706
C -5.601771 0.282002 -1.844932
C -5.199571 -0.726210 0.337248
C 4.392048 -1.226382 0.273163
C 4.787233 -3.509477 0.975068
C 5.237518 -2.193184 0.826025
C 3.874890 4.390392 -0.808569
C 3.987348 2.153499 -1.746476
C -6.977808 0.177783 -1.635009
C -6.577949 -0.826690 0.538728
C 4.503796 3.449059 -1.631993
C -7.464905 -0.375513 -0.445058
H -1.377046 1.470028 0.906914
H -0.752455 -0.199079 -1.136862
H -1.370453 -0.122621 2.806218
H -1.438727 -2.674450 0.029415
H 1.439252 -1.011146 1.739205
H 0.648474 -1.628908 3.251309
H 0.069270 1.934140 2.964694
H 1.294481 -3.757089 -1.435932
H 0.774769 -3.964123 0.293181
H 2.429324 -0.819693 -0.564070
H 3.150780 -4.885259 0.700293
H 2.225133 4.765829 0.549292
H 2.425683 0.777878 -1.117110
H -5.209052 0.712182 -2.770602
H -4.498021 -1.075825 1.099697
H 4.737697 -0.199425 0.161226
H 5.444173 -4.262731 1.406733
H 6.242625 -1.922376 1.142252
H 4.281427 5.397365 -0.721692
H 4.479004 1.423676 -2.389210
H -7.671934 0.527858 -2.398457
H -6.961595 -1.256681 1.463413
H 5.400600 3.727017 -2.186836
H -8.540724 -0.455141 -0.284135


%chk=000298241-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298241

0 1
O -0.106515 -2.030984 1.132752
O 0.692503 1.284940 -0.016251
O -2.469585 -0.636987 -0.185037
O 0.960538 -1.511619 -0.997657
O 0.006829 1.240637 2.924886
O 0.454394 3.320306 1.095901
O -3.081254 1.079617 -1.647093
C -0.613718 0.802196 0.527871
C -1.041853 -0.318588 -0.448660
C -0.480188 0.260000 1.964344
C -0.288407 -1.654272 -0.256309
C 0.465626 -0.952719 1.979825
C 1.757957 -2.763190 -1.085119
C 1.072271 2.593936 0.266683
C -3.416976 0.153666 -0.869876
C 2.788666 -2.904215 0.021924
C 2.269212 3.003548 -0.511392
C -4.810581 -0.255171 -0.548174
C 3.704198 -1.852352 0.283138
C 2.878236 -4.096486 0.779477
C 2.802715 4.300888 -0.294658
C 2.878853 2.125809 -1.447690
C -5.871050 0.457222 -1.167997
C -5.096266 -1.318033 0.349146
C 4.690859 -1.992506 1.283137
C 3.870406 -4.243344 1.776190
C 4.779913 -3.191447 2.030209
C 3.940379 4.720179 -1.013268
C 4.017105 2.552587 -2.162231
C -7.208311 0.107996 -0.893068
C -6.436959 -1.662443 0.620188
C 4.549081 3.846972 -1.946856
C -7.493296 -0.952178 0.001081
H -1.329647 1.644621 0.483941
H -0.928742 0.039552 -1.485920
H -1.495589 -0.082740 2.258123
H -0.892607 -2.485143 -0.672555
H 1.472396 -0.672671 1.622923
H 0.531178 -1.382391 2.989420
H -0.023712 2.154893 2.521127
H 2.253856 -2.678836 -2.069648
H 1.080194 -3.640552 -1.102198
H 3.628743 -0.919761 -0.288571
H 2.162503 -4.907869 0.599355
H 2.313813 4.957364 0.432565
H 2.449080 1.131444 -1.604601
H -5.625361 1.273793 -1.854967
H -4.271236 -1.858469 0.821183
H 5.387853 -1.170294 1.480755
H 3.927506 -5.170510 2.357581
H 5.546631 -3.301278 2.805402
H 4.352793 5.721179 -0.848444
H 4.488956 1.881320 -2.887731
H -8.026104 0.657822 -1.370749
H -6.659664 -2.481287 1.312499
H 5.433364 4.174458 -2.505060
H -8.533386 -1.222706 0.214953


