%chk=000181215.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181215

0 1
O 1.677775 0.639981 1.544265
O -0.005556 -0.737283 0.693232
O 2.844956 -2.325738 -1.099252
O 3.135299 0.453715 -1.858648
O 2.923580 -2.134881 2.143821
O 1.594977 3.493903 0.454501
C 2.928667 -1.260417 -0.145866
C 2.332792 0.026855 -0.762447
C 2.091528 -1.750275 1.056787
C 2.193307 1.142661 0.290026
C 1.104646 -0.668985 1.568530
C 1.249053 2.261701 -0.180223
C -1.165185 0.058929 1.078980
C -2.268513 -0.453218 0.157892
C -3.555024 0.359717 0.335367
C -4.667642 -0.156852 -0.586608
C -5.959918 0.654044 -0.415450
C -7.070108 0.143267 -1.330764
H 3.998654 -1.136162 0.132403
H 1.349562 -0.208136 -1.251479
H 1.555677 -2.699851 0.789078
H 3.180832 1.570417 0.584497
H 0.830335 -0.779691 2.639372
H 0.189271 2.007963 0.040162
H 1.376674 2.485458 -1.258543
H -0.902618 1.122119 0.895445
H -1.384778 -0.100269 2.146472
H -1.921135 -0.414376 -0.894898
H -2.452400 -1.528411 0.358299
H 3.099591 -1.996544 -1.995246
H 4.009136 0.788618 -1.562537
H 3.450458 -1.372836 2.475138
H -3.891167 0.313210 1.389769
H -3.361262 1.429711 0.124557
H -4.865990 -1.226277 -0.378862
H -4.335597 -0.114222 -1.642101
H 1.468343 3.418285 1.426201
H -6.296120 0.610187 0.639081
H -5.764933 1.723823 -0.626730
H -7.316449 -0.904259 -1.122544
H -7.988708 0.727104 -1.202920
H -6.785509 0.208316 -2.387255


%chk=000181215-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181215

0 1
O 1.735822 0.756683 1.438434
O 0.026297 -0.783482 0.640271
O 3.407224 -2.375990 -0.832268
O 3.400421 0.264420 -1.940289
O 2.984496 -2.006765 2.388885
O 0.958615 3.243799 0.370579
C 3.136978 -1.221611 0.016316
C 2.506528 -0.083172 -0.813053
C 2.221650 -1.673695 1.180185
C 2.217721 1.146996 0.069185
C 1.157187 -0.604137 1.520856
C 1.196624 2.120725 -0.538201
C -1.218896 -0.124681 1.107288
C -2.299466 -0.375071 0.054162
C -3.654819 0.257811 0.445842
C -4.755616 0.010911 -0.610363
C -6.112579 0.648947 -0.236213
C -7.207050 0.395789 -1.295392
H 4.088657 -0.828517 0.452720
H 1.593032 -0.448311 -1.308852
H 1.719354 -2.609553 0.894764
H 3.160826 1.695359 0.276066
H 0.865727 -0.688421 2.585913
H 0.257265 1.575630 -0.764278
H 1.591873 2.557898 -1.470184
H -1.039166 0.961825 1.242891
H -1.506463 -0.559681 2.088154
H -1.958891 0.037706 -0.915860
H -2.416202 -1.466834 -0.086328
H 3.776715 -2.030404 -1.688754
H 4.214829 0.708699 -1.583745
H 3.464819 -1.192832 2.692594
H -3.988849 -0.150811 1.422582
H -3.527517 1.350968 0.590523
H -4.891130 -1.081613 -0.751554
H -4.420938 0.411895 -1.589812
H 0.827447 2.853636 1.275608
H -6.445941 0.250291 0.743880
H -5.976115 1.740947 -0.097453
H -7.384954 -0.687808 -1.430742
H -8.166629 0.861865 -1.005521
H -6.912386 0.811887 -2.277335


