%chk=000180531.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180531

0 1
O 1.002068 -1.109215 -0.706987
O 0.563074 -3.384963 -0.472708
O 3.264535 -1.321842 -0.800235
O -0.346444 -0.829548 -2.950051
O -2.900417 -2.321553 -2.348996
O -2.928650 -2.986331 0.471357
O -0.488005 -4.683331 0.965072
O 0.004660 2.520437 -0.456457
O 0.651382 -2.573322 2.332637
O -1.531950 0.979440 -1.062290
C 2.225745 0.254068 0.845250
C 3.624126 0.414741 1.546436
C 2.160827 -1.093094 0.131821
C 3.870127 1.954668 1.536334
C 2.095023 1.528827 0.031897
C 0.761952 -2.336780 -1.408371
C -0.487531 -2.069509 -2.281045
C -1.796032 -2.085768 -1.461238
C -1.883005 -3.262630 -0.469662
C -0.596618 -3.394294 0.391155
C 2.969468 2.464577 0.444877
C 4.722849 -0.272912 0.790078
C 1.089616 1.717846 -1.046053
C 4.511259 -1.008866 -0.308008
C -0.530051 -2.387660 1.554104
C -1.268979 2.025430 -0.493747
C -2.213244 2.923194 0.208462
C -1.766471 4.068704 0.885065
C -3.580241 2.599166 0.186329
C -2.689339 4.888956 1.537799
C -4.496036 3.424339 0.841460
C -4.051064 4.567313 1.515873
H 1.414032 0.258790 1.619266
H 3.577828 0.023599 2.585621
H 2.139603 -1.971301 0.823515
H 4.928315 2.206416 1.349099
H 3.608399 2.406172 2.510264
H 1.671342 -2.662517 -1.959586
H -0.535915 -2.810842 -3.117516
H -1.955452 -1.104659 -0.942976
H -2.112867 -4.216432 -0.997762
H 3.069950 3.472077 0.076108
H 5.728347 -0.096824 1.162320
H 1.454193 2.352069 -1.875753
H 0.684849 0.760746 -1.455447
H 5.246125 -1.463483 -0.965345
H -0.453753 -1.346273 1.182260
H -1.427053 -2.503555 2.198955
H -0.358549 -0.069528 -2.277096
H -2.941085 -1.597690 -3.019324
H -3.784813 -2.905031 -0.017294
H -0.005490 -5.296690 0.354569
H 0.717663 -3.524667 2.600125
H -0.699856 4.309224 0.895694
H -3.914559 1.702925 -0.343095
H -2.347682 5.779237 2.064341
H -5.557026 3.177233 0.827693
H -4.769082 5.209717 2.026909


%chk=000180531-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180531

0 1
O 0.901211 -0.827402 -0.705530
O 0.297528 -3.131818 -0.221117
O 3.200013 -1.057233 -1.158928
O -0.720224 -0.934539 -3.140089
O -3.232839 -1.601946 -1.911774
O -3.266841 -2.524229 0.773686
O -0.844713 -4.201870 1.474627
O 0.283999 2.533612 -0.314099
O 0.610851 -2.060935 2.492320
O -0.967153 1.517020 -1.999218
C 2.469117 0.363996 0.771936
C 3.884868 0.242930 1.450911
C 2.198177 -0.887073 -0.068621
C 4.349338 1.733824 1.621432
C 2.547280 1.713751 0.049620
C 0.497129 -2.123869 -1.267842
C -0.794708 -1.931274 -2.086047
C -1.981903 -1.658006 -1.143558
C -2.147993 -2.795531 -0.125840
C -0.863121 -2.971886 0.720653
C 3.574570 2.460013 0.537270
C 4.857139 -0.497717 0.543374
C 1.586016 2.171487 -1.002785
C 4.517513 -1.019519 -0.664015
C -0.655788 -1.874632 1.785422
C -0.902181 2.142252 -0.902441
C -2.095454 2.532886 -0.098906
C -1.974918 3.292076 1.095056
C -3.376661 2.121038 -0.552132
C -3.130463 3.635771 1.826384
C -4.527560 2.464947 0.185073
C -4.407017 3.223299 1.374143
H 1.679817 0.389547 1.549278
H 3.811363 -0.261520 2.431805
H 2.254907 -1.785759 0.577810
H 5.444892 1.844118 1.521487
H 4.073656 2.128400 2.621833
H 1.318958 -2.530481 -1.879177
H -0.978130 -2.884072 -2.616527
H -1.832626 -0.693736 -0.617953
H -2.322861 -3.736598 -0.695772
H 3.807290 3.481702 0.216239
H 5.909250 -0.541359 0.847084
H 1.929672 3.099495 -1.490543
H 1.368349 1.398221 -1.756458
H 5.223593 -1.462019 -1.372174
H -0.606040 -0.880108 1.321204
H -1.521150 -1.922319 2.472316
H -0.618876 -0.015497 -2.742747
H -3.018352 -1.134905 -2.764206
H -4.030406 -2.249545 0.201385
H -0.799952 -4.967657 0.847458
H 0.650869 -3.017625 2.755871
H -0.981874 3.600427 1.433380
H -3.451509 1.536299 -1.474793
H -3.038838 4.221808 2.747041
H -5.514387 2.142606 -0.163266
H -5.302732 3.489959 1.946161


