%chk=000180544.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180544

0 1
O 4.686071 0.149528 0.539476
O 5.516056 -1.179241 -1.095646
C -1.126823 -2.053654 -0.368571
C -2.262680 -1.879329 -1.385018
C 0.127715 -1.278623 -0.791430
C -3.504328 -2.715418 -1.043500
C 1.260777 -1.444311 0.229538
C -4.213678 -2.274798 0.247700
C 2.499756 -0.641976 -0.182969
C -3.384741 2.360495 1.169882
C -2.465199 2.085584 -0.027662
C -4.657928 1.497522 1.121293
C -1.132146 2.834605 0.089516
C -4.609364 -0.828490 0.206941
C -4.321699 0.036374 1.184040
C 3.625818 -0.813320 0.831313
C -0.175240 2.440914 -1.044287
C 1.183066 3.122709 -0.906679
C 5.577556 -0.149453 -0.467123
C 6.552574 0.969711 -0.592316
H -1.465797 -1.708450 0.628055
H -0.886264 -3.127590 -0.252367
H -1.906759 -2.160153 -2.395543
H -2.542432 -0.808302 -1.448993
H 0.465445 -1.619819 -1.788714
H -0.114689 -0.194021 -0.908564
H -3.224051 -3.783079 -0.954869
H -4.216143 -2.660246 -1.890919
H 0.913644 -1.118542 1.229618
H 1.520834 -2.516497 0.329673
H -5.120719 -2.896855 0.400003
H -3.560945 -2.485717 1.118825
H 2.852322 -0.964092 -1.185196
H 2.249319 0.433709 -0.284997
H -2.840519 2.167978 2.114692
H -3.665621 3.430325 1.193941
H -2.276516 0.993949 -0.103869
H -2.977856 2.365202 -0.967113
H -5.238307 1.739231 0.208657
H -5.318982 1.762020 1.972028
H -1.305954 3.926999 0.076187
H -0.660670 2.617583 1.067461
H -5.141078 -0.525334 -0.694640
H -3.789769 -0.267511 2.085325
H 3.342068 -0.513396 1.855769
H 4.054583 -1.830401 0.824771
H -0.625693 2.694311 -2.023157
H -0.041428 1.331039 -1.050004
H 1.089859 4.214498 -0.933377
H 1.673464 2.861358 0.038429
H 1.857711 2.831635 -1.719354
H 6.517953 1.404597 -1.603416
H 7.580630 0.609725 -0.429610
H 6.359801 1.778718 0.130072


%chk=000180544-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180544

0 1
O 4.812997 0.092135 0.526287
O 5.718187 -1.701519 -0.664559
C -1.109841 -2.192653 -0.416076
C -2.248241 -2.054643 -1.452615
C 0.159829 -1.410240 -0.819260
C -3.521810 -2.867985 -1.118236
C 1.288800 -1.488481 0.233001
C -4.222483 -2.459167 0.211343
C 2.540936 -0.676968 -0.173689
C -3.397770 2.309539 1.287319
C -2.520319 2.254182 0.017125
C -4.631366 1.363941 1.231952
C -1.261972 3.147075 0.103401
C -4.626037 -0.998942 0.244931
C -4.250313 -0.102587 1.195071
C 3.637793 -0.755856 0.896072
C -0.382746 3.087521 -1.166948
C 0.888579 3.957674 -1.065161
C 5.786935 -0.512014 -0.276298
C 6.906387 0.458236 -0.589331
H -1.459772 -1.825746 0.570045
H -0.858092 -3.265912 -0.282360
H -1.870881 -2.374081 -2.446088
H -2.515707 -0.982209 -1.548435
H 0.536393 -1.791468 -1.791172
H -0.109120 -0.345608 -0.986216
H -3.269009 -3.947075 -1.067661
H -4.247440 -2.754683 -1.949937
H 0.904229 -1.118101 1.206546
H 1.569435 -2.550720 0.389518
H -5.122943 -3.097806 0.330966
H -3.564477 -2.681663 1.073418
H 2.940131 -1.063342 -1.130615
H 2.263708 0.383796 -0.334227
H -2.779812 2.046399 2.171503
H -3.746320 3.350101 1.449013
H -2.215032 1.204145 -0.168981
H -3.129216 2.558633 -0.860394
H -5.251059 1.611987 0.347096
H -5.259595 1.558832 2.126747
H -1.564855 4.199253 0.288806
H -0.654934 2.841036 0.981754
H -5.264440 -0.653825 -0.585634
H -3.603737 -0.448801 2.019615
H 3.302304 -0.332882 1.857745
H 3.982539 -1.796899 1.034039
H -0.984522 3.408291 -2.041786
H -0.095543 2.032942 -1.360522
H 0.628676 5.019658 -0.894873
H 1.527027 3.631003 -0.222173
H 1.494270 3.901778 -1.988434
H 6.979332 0.591707 -1.682819
H 7.865526 0.031840 -0.247983
H 6.738398 1.431872 -0.107526


