%chk=000181378.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181378

0 1
O 0.572111 -3.590690 0.073896
C 2.804575 1.103817 -0.458791
C 1.433951 0.820813 0.173705
C 3.776117 -0.092868 -0.480589
C 4.011942 1.065135 0.477982
C -0.947211 1.584462 0.551639
C 0.931410 -0.591903 -0.270650
C 0.403996 1.937729 -0.099769
C -1.411241 0.235710 -0.080825
C -0.472968 -0.904631 0.294674
C -2.904603 0.134363 0.309219
C -2.134528 2.515038 0.188998
C 2.848292 2.049308 -1.632027
C 3.274817 -1.389765 0.025678
C 1.956759 -1.638968 0.115788
C -3.390083 1.614333 0.270397
C -0.802566 1.543311 2.082100
C -3.669532 -0.786857 -0.615234
C 1.512476 -2.994553 0.553236
C -4.085572 -2.089508 -0.002488
C -3.940922 -0.487759 -1.888661
H 1.573511 0.776443 1.286687
H 4.460123 -0.203878 -1.331408
H 3.863915 0.918334 1.544661
H 4.852692 1.730986 0.303449
H 0.861662 -0.600702 -1.390354
H 0.784930 2.896965 0.293358
H 0.265138 2.084075 -1.186548
H -1.372673 0.346363 -1.197221
H -0.843516 -1.861281 -0.132688
H -0.437686 -1.054597 1.387287
H -2.987224 -0.237619 1.356925
H -2.018199 2.929635 -0.825123
H -2.209642 3.377835 0.866538
H 2.586250 3.072029 -1.332213
H 3.843807 2.097871 -2.090429
H 2.147447 1.736828 -2.417480
H 4.038967 -2.120641 0.288361
H -3.980272 1.841941 1.172052
H -4.057230 1.799444 -0.587107
H -0.044961 0.817900 2.399537
H -0.506644 2.521041 2.474751
H -1.743968 1.264247 2.566640
H 2.118012 -3.448180 1.358698
H -3.212957 -2.647253 0.368144
H -4.765273 -1.934984 0.845257
H -4.601546 -2.744593 -0.716248
H -4.475002 -1.145342 -2.554650
H -3.644079 0.434913 -2.360858


%chk=000181378-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181378

0 1
O 0.501538 -3.686601 0.063434
C 2.853441 1.111860 -0.396021
C 1.442280 0.791069 0.171678
C 3.825915 -0.074463 -0.333743
C 3.991286 1.131658 0.638929
C -0.960144 1.626322 0.527336
C 0.914132 -0.606815 -0.318500
C 0.427819 1.942984 -0.079052
C -1.441094 0.275408 -0.079857
C -0.514088 -0.903414 0.238924
C -2.951062 0.191852 0.309261
C -2.116144 2.563960 0.074913
C 2.959601 2.031310 -1.610747
C 3.289639 -1.393494 0.066964
C 1.944182 -1.688861 0.029386
C -3.413270 1.696724 0.228394
C -0.896891 1.624329 2.079892
C -3.740715 -0.812040 -0.536176
C 1.613761 -3.116930 0.250177
C -4.027896 -2.149626 0.124662
C -4.129372 -0.554343 -1.814590
H 1.552882 0.690833 1.270994
H 4.610998 -0.123968 -1.100462
H 3.736715 0.983114 1.693037
H 4.857776 1.778072 0.462299
H 0.823884 -0.568255 -1.428337
H 0.836018 2.883950 0.343296
H 0.308353 2.103266 -1.170295
H -1.420978 0.412912 -1.185756
H -0.886284 -1.838529 -0.210106
H -0.463983 -1.082088 1.332178
H -3.011067 -0.143303 1.365091
H -1.969835 2.847614 -0.986186
H -2.164493 3.498637 0.663845
H 2.594426 3.050834 -1.392663
H 4.011862 2.117637 -1.940035
H 2.376294 1.635794 -2.463941
H 4.006966 -2.192269 0.313188
H -3.971845 1.972375 1.141478
H -4.100715 1.853819 -0.619779
H -0.270631 0.811396 2.487206
H -0.474361 2.583329 2.436153
H -1.901630 1.520181 2.526348
H 2.497325 -3.721291 0.590395
H -3.090000 -2.641351 0.449484
H -4.645629 -2.013079 1.034729
H -4.559214 -2.839924 -0.553006
H -4.663890 -1.302486 -2.411155
H -3.929061 0.406187 -2.304969


