%chk=000224978.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224978

0 1
O 0.143832 -0.735690 -1.907160
O 2.578984 -0.748650 -1.608577
O -1.592884 1.095018 -2.019314
C 0.027198 -0.818537 -0.446975
C 1.116064 0.132086 0.013291
C -1.364475 -0.342786 -0.078829
C 0.250622 -2.271273 -0.032352
C 2.363067 0.151976 -0.601982
C -2.057593 0.577486 -0.856239
C 0.885246 1.042296 1.083544
C -1.982342 -0.811081 1.119369
C 3.404092 1.060734 -0.196857
C -3.367530 1.059221 -0.484681
C 3.134752 1.951095 0.872946
C -3.947601 0.568855 0.711561
C 1.291047 -2.642351 0.826661
C -0.619537 -3.258156 -0.526922
C 1.855138 1.917477 1.506551
C -3.223256 -0.378731 1.506155
C 4.682397 1.093665 -0.833130
C -4.076243 2.003972 -1.282747
C 4.160365 2.861969 1.288475
C -5.243245 1.038549 1.089342
C 1.470430 -3.985798 1.175869
C -0.436632 -4.597626 -0.180487
C 0.611674 -4.964902 0.671277
C 5.647507 1.975034 -0.417216
C -5.321556 2.440305 -0.896242
C 5.379587 2.871376 0.659936
C -5.908649 1.949815 0.303346
H -0.094028 1.035342 1.571717
H -1.437105 -1.532814 1.732963
H -0.270137 -1.507325 -2.344896
H 1.970116 -1.889367 1.228576
H -1.453331 -2.975961 -1.170336
H 1.659603 2.604632 2.327260
H -3.681465 -0.746451 2.420869
H 4.870574 0.402964 -1.657662
H -3.601525 2.364401 -2.198559
H 3.947281 3.544485 2.110178
H -5.688881 0.661244 2.007406
H 2.284423 -4.265660 1.842688
H -1.112865 -5.356854 -0.569952
H 0.754376 -6.009734 0.940663
H 3.493205 -0.662876 -1.996795
H -0.658739 0.721612 -2.266596
H 6.623854 2.007526 -0.896923
H -5.871706 3.161150 -1.496810
H 6.163133 3.562512 0.970409
H -6.896839 2.310726 0.587690


%chk=000224978-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000224978

0 1
O -0.055859 -0.847953 -2.073411
O 2.532482 -0.799574 -1.721232
O -1.689401 1.088288 -2.098572
C -0.046878 -0.838924 -0.565796
C 1.043624 0.159930 -0.099229
C -1.458096 -0.384979 -0.145640
C 0.255838 -2.277975 -0.091170
C 2.325499 0.133497 -0.672696
C -2.169641 0.576720 -0.900603
C 0.802569 1.104509 0.947068
C -2.036723 -0.862678 1.073382
C 3.381837 1.016071 -0.261314
C -3.440854 1.084173 -0.444569
C 3.108696 1.941104 0.819758
C -3.991511 0.593558 0.798220
C 1.078227 -2.550004 1.027706
C -0.348387 -3.359161 -0.781487
C 1.801885 1.964242 1.402919
C -3.264469 -0.394140 1.540860
C 4.684434 1.020372 -0.864655
C -4.161453 2.063035 -1.200059
C 4.155652 2.813922 1.265505
C -5.254576 1.109962 1.240724
C 1.302394 -3.882422 1.445959
C -0.123022 -4.688635 -0.366931
C 0.704473 -4.956441 0.749865
C 5.683012 1.882235 -0.405463
C -5.389337 2.548544 -0.741028
C 5.418603 2.785345 0.672456
C -5.940043 2.068116 0.489618
H -0.195787 1.136276 1.392517
H -1.493510 -1.620128 1.647993
H 0.884956 -1.036286 -2.359028
H 1.545880 -1.724450 1.575635
H -0.988113 -3.143252 -1.642941
H 1.592138 2.672014 2.212215
H -3.683582 -0.779290 2.477025
H 4.918397 0.363018 -1.713329
H -3.724753 2.414952 -2.138888
H 3.942690 3.510732 2.084464
H -5.675872 0.738146 2.182621
H 1.941427 -4.078826 2.314418
H -0.594516 -5.515320 -0.910369
H 0.877959 -5.988950 1.073585
H 3.487538 -0.957024 -1.910132
H -0.923315 0.476789 -2.385162
H 6.671030 1.876251 -0.877669
H -5.936574 3.297890 -1.323594
H 6.209763 3.456997 1.021937
H -6.904329 2.454623 0.839021


