%chk=000219682.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219682

0 1
O 3.022917 -0.000227 0.067513
O -3.022773 -0.004207 -0.067315
O 4.240818 0.002363 -1.830500
O -4.240675 -0.000611 1.830696
C 5.355287 0.000768 0.380998
C -5.355144 -0.003843 -0.380795
C 6.197281 1.274921 0.179803
C 6.198729 -1.272015 0.177213
C -6.197409 1.270249 -0.180358
C -6.198310 -1.276684 -0.176242
C 0.690175 -0.002199 0.329713
C -0.690031 -0.002123 -0.329512
C 4.216846 0.001142 -0.622678
C -4.216700 -0.002625 0.622874
C 1.791364 -0.000106 -0.725738
C -1.791220 -0.003471 0.725940
C 5.434761 2.536200 0.571028
C 5.437644 -2.534954 0.565871
C -5.435159 2.531458 -0.572336
C -5.436957 -2.539691 -0.564153
H 4.926984 -0.000529 1.417344
H -4.926845 -0.005670 -1.417142
H 7.124433 1.196531 0.782003
H 6.526993 1.343725 -0.878185
H 6.528516 -1.338293 -0.880913
H 7.125793 -1.193795 0.779571
H -7.124547 1.191302 -0.782508
H -6.527131 1.339614 0.877591
H -6.528074 -1.342400 0.881927
H -7.125397 -1.199024 -0.778638
H 0.811710 0.878533 0.993658
H 0.812735 -0.884599 0.991245
H -0.811749 -0.883166 -0.993015
H -0.812409 0.879967 -0.991487
H 1.794994 0.902271 -1.360067
H 1.796240 -0.900874 -1.362342
H -1.794808 -0.905366 1.360943
H -1.796145 0.897782 1.361867
H 5.118331 2.513954 1.620530
H 6.054960 3.430097 0.434194
H 4.532141 2.672686 -0.037827
H 6.058857 -3.427865 0.427215
H 4.535176 -2.671224 -0.043257
H 5.121196 -2.515204 1.615418
H -5.118716 2.508649 -1.621822
H -6.055553 3.425302 -0.436046
H -4.532576 2.668505 0.036447
H -6.057975 -3.432653 -0.424956
H -4.534452 -2.675401 0.045044
H -5.120525 -2.520500 -1.613715


%chk=000219682-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219682

0 1
O 3.098585 -0.000875 0.218018
O -3.098442 -0.003285 -0.217810
O 4.346496 -0.000343 -1.747781
O -4.346361 -0.001929 1.747985
C 5.510340 0.000692 0.437068
C -5.510195 -0.003376 -0.436869
C 6.355248 1.284796 0.195417
C 6.357574 -1.281802 0.195039
C -6.356402 1.279949 -0.195661
C -6.356134 -1.286650 -0.194403
C 0.677077 -0.001900 0.374731
C -0.676936 -0.002540 -0.374519
C 4.304290 -0.000234 -0.494458
C -4.304150 -0.002807 0.494662
C 1.852003 -0.001636 -0.603626
C -1.851862 -0.002704 0.603836
C 5.600772 2.594654 0.507267
C 5.605484 -2.593121 0.506514
C -5.603243 2.590465 -0.507937
C -5.602716 -2.597312 -0.505431
H 5.133530 0.000214 1.477387
H -5.133381 -0.003857 -1.477186
H 7.261811 1.216701 0.828369
H 6.694963 1.287152 -0.858476
H 6.697257 -1.283240 -0.858867
H 7.264023 -1.212241 0.827990
H -7.262894 1.210726 -0.828589
H -6.696108 1.282320 0.858235
H -6.695843 -1.288068 0.859494
H -7.262645 -1.218224 -0.827393
H 0.751585 0.887652 1.029399
H 0.752249 -0.891142 1.029744
H -0.751469 -0.892109 -1.029161
H -0.752081 0.886685 -1.029558
H 1.856635 0.892875 -1.254039
H 1.857425 -0.896462 -1.253598
H -1.856606 -0.897246 1.254209
H -1.857175 0.892092 1.253849
H 5.243471 2.612162 1.553816
H 6.256350 3.471463 0.356635
H 4.721874 2.718559 -0.151988
H 6.262651 -3.468693 0.355615
H 4.726809 -2.718429 -0.152773
H 5.248231 -2.611590 1.553063
H -5.245976 2.608008 -1.554498
H -6.259695 3.466665 -0.357571
H -4.724467 2.715454 0.151275
H -6.259009 -3.473495 -0.354273
H -4.723930 -2.721527 0.153913
H -5.245413 -2.615750 -1.551964


