%chk=000231538.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231538

0 1
O -0.098837 -0.317979 1.832012
O -0.228105 -0.751955 -1.775353
O 4.757608 3.094014 0.246006
O -4.322610 3.668123 -0.731657
C -0.057039 0.107230 0.447194
C -0.116615 -1.225859 -0.413145
C 1.251354 0.867072 0.333968
C -1.223273 1.044409 0.168374
C -1.371577 -2.026647 -0.076143
C 1.131480 -2.097609 -0.311207
C 1.746601 1.536548 1.471115
C -1.408676 1.581134 -1.121324
C 1.949486 0.947874 -0.875271
C -2.086354 1.429715 1.199237
C -1.334540 -3.094833 0.830735
C 1.466952 -2.930470 -1.391278
C -2.587920 -1.678744 -0.682773
C 1.933727 -2.111934 0.836996
C 2.924073 2.269459 1.404873
C -2.456701 2.452446 -1.385641
C 3.135056 1.683819 -0.970671
C -3.150315 2.307327 0.963615
C -2.500838 -3.807220 1.124874
C 2.591751 -3.755237 -1.327517
C -3.751562 -2.393146 -0.388930
C 3.059908 -2.938060 0.899534
C 3.609124 2.335269 0.173349
C -3.325233 2.806191 -0.331416
C -3.710162 -3.459157 0.515606
C 3.392313 -3.760390 -0.180414
C 5.547718 3.241730 -0.957649
C -5.257652 4.133420 0.270744
H -0.928794 -0.808564 2.025694
H -0.327087 -1.509057 -2.396331
H 1.194744 1.468604 2.412884
H -0.718754 1.303135 -1.925575
H 1.569589 0.426858 -1.761049
H -1.928041 1.052551 2.212239
H -0.394755 -3.381267 1.306772
H 0.848051 -2.933015 -2.288532
H -2.620139 -0.837288 -1.380698
H 1.685706 -1.466724 1.688381
H 3.324217 2.790363 2.270482
H -2.616172 2.872094 -2.375556
H 3.662449 1.734470 -1.915797
H -3.807935 2.588753 1.777484
H -2.464277 -4.637639 1.828180
H 2.844812 -4.394379 -2.171243
H -4.691724 -2.115933 -0.863277
H 3.681232 -2.934548 1.793966
H -4.616936 -4.016288 0.744423
H 4.270335 -4.401052 -0.130394
H 4.965957 3.746312 -1.734280
H 5.916452 2.267800 -1.291815
H 6.372448 3.876511 -0.608972
H -5.821933 3.292516 0.683325
H -5.908052 4.793393 -0.317916
H -4.732436 4.694354 1.049162


%chk=000231538-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231538

0 1
O -0.089214 -0.354098 1.862332
O -0.207163 -0.759357 -1.846332
O 4.801072 3.294603 0.250994
O -4.324191 3.801048 -0.723497
C -0.012465 0.094927 0.453872
C -0.087657 -1.238698 -0.447024
C 1.310966 0.875089 0.342852
C -1.186820 1.063578 0.152477
C -1.373312 -2.023179 -0.081682
C 1.153537 -2.159083 -0.327388
C 1.738142 1.638523 1.462834
C -1.247270 1.795268 -1.066464
C 2.074917 0.936097 -0.843485
C -2.198091 1.293876 1.110790
C -1.347638 -3.091374 0.854773
C 1.364134 -3.130053 -1.341905
C -2.614341 -1.661448 -0.671403
C 2.063416 -2.121653 0.758664
C 2.899023 2.426815 1.402477
C -2.299861 2.687345 -1.327412
C 3.243994 1.727446 -0.920453
C -3.263022 2.193783 0.869002
C -2.533686 -3.784002 1.189352
C 2.456094 -4.022314 -1.289175
C -3.795963 -2.361426 -0.342941
C 3.159345 -3.012549 0.813635
C 3.658307 2.476132 0.206738
C -3.319150 2.887450 -0.361783
C -3.761733 -3.423915 0.589414
C 3.365407 -3.965419 -0.208061
C 5.614468 3.378064 -0.962464
C -5.379865 4.060958 0.256507
H -0.873252 -0.958824 1.951593
H -0.531478 -1.507790 -2.407776
H 1.154971 1.597293 2.386839
H -0.463573 1.661750 -1.814902
H 1.764122 0.353897 -1.715264
H -2.151106 0.790697 2.081260
H -0.394586 -3.398876 1.297916
H 0.671398 -3.209127 -2.189284
H -2.647986 -0.821784 -1.372354
H 1.914033 -1.398930 1.563442
H 3.235432 3.013419 2.263028
H -2.347766 3.249759 -2.265044
H 3.815585 1.744068 -1.853469
H -4.022888 2.343771 1.641956
H -2.494165 -4.609176 1.909210
H 2.594751 -4.759644 -2.088118
H -4.744081 -2.070127 -0.808654
H 3.853421 -2.956864 1.659934
H -4.679673 -3.965984 0.843052
H 4.216925 -4.653785 -0.163861
H 5.035000 3.795143 -1.809527
H 6.020082 2.386951 -1.246122
H 6.441506 4.057973 -0.709268
H -5.948957 3.139882 0.491475
H -6.044324 4.794686 -0.223383
H -4.966670 4.487685 1.191480


