%chk=000180618.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180618

0 1
O -3.630005 -1.576258 -0.979971
O -5.472424 0.469970 -0.130744
C -3.262502 -0.603298 0.023601
C -4.082741 0.632666 -0.454011
C -1.766251 -0.331281 -0.019707
C -3.634474 1.892690 0.284115
C -2.174017 2.199954 -0.048871
C -1.264555 0.999908 -0.009929
C -3.677604 -1.110846 1.402166
C -0.879404 -1.395047 -0.033911
C 0.107431 1.212609 -0.002233
C 1.027142 0.135523 -0.013532
C 0.521977 -1.185997 -0.035375
C 2.470209 0.347760 -0.005947
C 1.437527 -2.306926 -0.054645
C 3.334839 -0.772441 -0.023806
C 2.779477 -2.109576 -0.049235
C 3.039272 1.648994 0.018756
C 4.741631 -0.575681 -0.016877
C 4.409664 1.822546 0.025310
C 5.269742 0.700148 0.007288
H -3.992917 0.729745 -1.560664
H -3.777997 1.761822 1.375449
H -4.292013 2.740235 0.005569
H -1.800976 2.983157 0.644483
H -2.110778 2.650193 -1.065342
H -3.297697 -0.459042 2.199029
H -4.773740 -1.126578 1.497380
H -3.307699 -2.120689 1.600114
H -1.252573 -2.419212 -0.044308
H 0.498114 2.231811 0.008640
H -3.199597 -2.436743 -0.825408
H -5.810772 -0.345527 -0.566991
H 1.013910 -3.310454 -0.074538
H 3.474789 -2.948319 -0.064172
H 2.377621 2.516382 0.032416
H 5.397922 -1.444666 -0.031079
H 4.839965 2.822485 0.044173
H 6.347605 0.854284 0.012508


%chk=000180618-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180618

0 1
O -3.718146 -1.678342 -0.908162
O -5.537000 0.406383 -0.308384
C -3.297910 -0.609414 0.046919
C -4.097562 0.616006 -0.467280
C -1.789009 -0.329392 -0.029503
C -3.696962 1.891958 0.274082
C -2.219187 2.224940 -0.031161
C -1.285138 1.014859 0.007791
C -3.699694 -1.033491 1.478495
C -0.877092 -1.392755 -0.079718
C 0.105150 1.223191 0.021800
C 1.048756 0.157414 -0.015171
C 0.532778 -1.187701 -0.079346
C 2.500330 0.367187 -0.000239
C 1.445965 -2.307662 -0.137467
C 3.375110 -0.779474 -0.059443
C 2.812576 -2.111087 -0.129123
C 3.097630 1.663375 0.071103
C 4.791804 -0.590990 -0.048186
C 4.490071 1.826929 0.081633
C 5.348214 0.691701 0.020898
H -3.850884 0.716328 -1.548209
H -3.860799 1.758572 1.359122
H -4.353031 2.717626 -0.053167
H -1.853488 3.003813 0.664376
H -2.158777 2.670126 -1.046177
H -3.368215 -0.293428 2.226822
H -4.795899 -1.136165 1.550232
H -3.217693 -1.994918 1.741408
H -1.241133 -2.426901 -0.131676
H 0.461533 2.259112 0.051974
H -3.511664 -2.565158 -0.519804
H -5.742815 -0.453225 -0.761916
H 1.028707 -3.320339 -0.190145
H 3.499869 -2.964111 -0.174983
H 2.464782 2.554922 0.120647
H 5.440944 -1.473704 -0.094564
H 4.920597 2.832809 0.137366
H 6.435382 0.825307 0.028853


