%chk=000180945.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180945

0 1
O -2.075927 1.376053 0.272872
O -1.931391 -3.063790 0.489380
O -3.042476 -0.320346 2.129972
O 2.103267 -1.347737 0.239100
O 3.823055 0.121455 0.400600
C -0.820770 -1.075270 -0.529390
C 0.114340 0.088739 -0.031711
C -1.613427 -1.694074 0.688304
C -0.725208 1.123500 0.792254
C -2.788103 0.254772 -0.267612
C -1.936850 -0.411363 -1.328523
C -2.925022 -0.852469 0.818522
C 0.769436 0.797355 -1.236152
C 1.194889 -0.447556 0.938513
C -0.064685 -2.152544 -1.291156
C 1.612882 2.010991 -0.831356
C -0.155079 2.505821 0.850645
C 0.887235 2.921926 0.116191
C -2.158166 -0.411668 -2.635475
C 1.424987 4.313339 0.214685
C 3.406372 -0.953701 0.035861
C 4.131175 -2.051044 -0.661804
H -1.034513 -1.715260 1.636167
H -0.892863 0.728675 1.826348
H -3.739053 0.709107 -0.598481
H -3.824371 -1.490712 0.692141
H -0.027731 1.132730 -1.932901
H 1.394602 0.075829 -1.796579
H 0.769156 -1.105445 1.721119
H 1.771510 0.376271 1.403462
H -0.741507 -2.884012 -1.745696
H 0.559088 -1.729914 -2.086974
H 0.605834 -2.709492 -0.615957
H 1.923094 2.561917 -1.741796
H 2.567808 1.682589 -0.352563
H -0.693510 3.176176 1.518485
H -1.516593 -0.908632 -3.349736
H -2.994322 0.096350 -3.096130
H -2.376689 -3.205341 -0.372078
H -2.835983 0.651243 2.131647
H 2.514560 4.317939 0.359453
H 0.987420 4.880745 1.046995
H 1.214341 4.880356 -0.703804
H 3.479851 -2.909498 -0.891993
H 4.963318 -2.421776 -0.040880
H 4.569322 -1.692936 -1.606472


%chk=000180945-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180945

0 1
O -2.083656 1.444428 0.176748
O -2.046001 -3.079491 0.681701
O -3.223914 -0.121692 2.121015
O 2.256522 -1.179069 -0.010224
O 3.968827 0.138702 0.893789
C -0.922662 -1.135505 -0.542425
C 0.066122 0.059678 -0.125183
C -1.727011 -1.650233 0.739148
C -0.725536 1.095246 0.749370
C -2.860495 0.273332 -0.325781
C -2.063674 -0.500768 -1.346744
C -3.021776 -0.762289 0.824633
C 0.620461 0.812466 -1.365640
C 1.223802 -0.444927 0.779475
C -0.193018 -2.275598 -1.276221
C 1.545049 1.992631 -0.986362
C -0.028077 2.421329 0.923355
C 0.999967 2.851474 0.142077
C -2.384839 -0.665555 -2.651030
C 1.686803 4.180066 0.373287
C 3.598416 -0.811232 0.167904
C 4.498129 -1.736604 -0.621396
H -1.154965 -1.561373 1.675445
H -0.910940 0.642056 1.748185
H -3.803865 0.710828 -0.686192
H -3.900904 -1.409055 0.640892
H -0.239600 1.204973 -1.935938
H 1.166533 0.116246 -2.026680
H 0.864345 -1.167344 1.532540
H 1.719935 0.396956 1.293454
H -0.914484 -3.001426 -1.691794
H 0.409104 -1.890349 -2.116646
H 0.481392 -2.821717 -0.600022
H 1.705718 2.627661 -1.880997
H 2.553819 1.635233 -0.693895
H -0.410552 3.062930 1.727269
H -1.779857 -1.284683 -3.323176
H -3.263779 -0.176556 -3.087779
H -2.543976 -3.266641 -0.155245
H -3.076066 0.855057 1.988117
H 2.770235 4.035708 0.553950
H 1.262830 4.719771 1.237265
H 1.597298 4.830954 -0.518675
H 4.071682 -1.942186 -1.616540
H 4.586624 -2.702807 -0.092274
H 5.499335 -1.291328 -0.715262


