%chk=000291329.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291329

0 1
O 1.006075 1.479525 1.769358
O 0.465767 -1.778152 1.810054
O -2.053443 0.308246 1.355946
O -1.497118 1.218543 -2.172785
O 2.403089 0.804168 -1.574200
O 0.079249 -2.404186 -1.801433
C 0.123456 -0.076020 -0.478824
C -0.298089 1.348016 -0.179058
C 1.452453 -0.442670 0.149501
C -0.966071 -1.087794 -0.187802
C 0.112021 2.109424 0.936891
C 1.626310 -1.257804 1.288970
C -2.024405 -0.915369 0.730602
C -1.169584 1.998848 -1.083961
C 2.638489 0.052879 -0.442014
C -0.951870 -2.316075 -0.889984
C -0.342648 3.425902 1.157075
C 2.899637 -1.536240 1.827178
C -2.990763 -1.916094 0.960850
C -1.636354 3.309688 -0.893312
C 3.919952 -0.210097 0.068880
C -1.902227 -3.329616 -0.684856
C -1.215392 4.005703 0.239719
C 4.029045 -1.003381 1.210993
C -2.912368 -3.112274 0.252056
C 1.481415 2.190376 2.937818
C 0.553030 -2.627139 2.979726
C -3.108976 0.571128 2.311607
C -2.378499 1.778530 -3.174328
C 3.540953 1.360058 -2.274083
C 0.194735 -3.613290 -2.587746
H 0.292083 -0.118223 -1.607418
H -0.021948 3.988513 2.023428
H 3.009245 -2.156922 2.706206
H -3.788837 -1.766089 1.675359
H -2.307719 3.777935 -1.599692
H 4.807914 0.188826 -0.401593
H -1.861121 -4.260976 -1.232426
H -1.571895 5.022283 0.406643
H 5.015622 -1.213384 1.624463
H -3.655481 -3.890190 0.428181
H 0.653166 2.399886 3.618916
H 2.173388 1.454442 3.369036
H 2.011810 3.099735 2.643464
H 0.947212 -2.064989 3.829660
H -0.502478 -2.889557 3.132750
H 1.149533 -3.517201 2.763189
H -2.877325 1.603172 2.607583
H -4.087269 0.513766 1.827323
H -3.030768 -0.110437 3.161992
H -1.921728 2.658383 -3.635321
H -3.354605 2.005843 -2.736855
H -2.452371 0.949996 -3.890614
H 4.079847 2.058651 -1.628022
H 3.052793 1.888529 -3.103193
H 4.189167 0.560908 -2.643461
H 1.079782 -3.394589 -3.199174
H -0.692329 -3.748008 -3.212449
H 0.371743 -4.474135 -1.937015


%chk=000291329-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291329

0 1
O 0.799746 1.568104 1.989045
O 0.579837 -1.702371 2.068567
O -2.039505 0.148559 1.646448
O -1.427199 1.160870 -2.221971
O 2.358808 0.816086 -1.586208
O 0.067238 -2.362639 -1.835328
C 0.109141 -0.079492 -0.339265
C -0.308362 1.384668 -0.125698
C 1.485428 -0.456097 0.233587
C -1.006622 -1.111508 -0.109486
C 0.050409 2.196003 0.984496
C 1.718841 -1.269783 1.374933
C -2.069921 -0.987393 0.825487
C -1.092089 2.001533 -1.140141
C 2.635815 0.012023 -0.461232
C -1.007993 -2.276081 -0.926668
C -0.345505 3.555878 1.075361
C 3.031662 -1.607702 1.796272
C -3.089625 -1.968729 0.932290
C -1.506730 3.354719 -1.068659
C 3.956044 -0.302982 -0.054844
C -2.010104 -3.273872 -0.833187
C -1.123269 4.123471 0.047331
C 4.140200 -1.119207 1.078071
C -3.049738 -3.105470 0.101704
C 1.196040 2.355270 3.150127
C 0.762036 -2.577196 3.220565
C -3.125900 0.340258 2.599442
C -2.203300 1.732731 -3.317254
C 3.487068 1.307051 -2.370658
C 0.108121 -3.507288 -2.739486
H 0.273760 -0.133162 -1.432590
H -0.059684 4.166766 1.935913
H 3.192392 -2.236905 2.675988
H -3.902803 -1.857482 1.654820
H -2.112459 3.804685 -1.859728
H 4.823194 0.073523 -0.603856
H -1.986760 -4.161841 -1.470283
H -1.433375 5.172350 0.117238
H 5.154531 -1.375464 1.404605
H -3.834315 -3.866268 0.184671
H 0.315208 2.720163 3.716147
H 1.777056 1.661548 3.776716
H 1.831909 3.217738 2.866075
H 1.323195 -2.072572 4.032711
H -0.258107 -2.808180 3.563388
H 1.281392 -3.516908 2.945141
H -2.902641 1.297475 3.094839
H -4.109796 0.406674 2.093283
H -3.155543 -0.471602 3.353840
H -1.668822 2.575132 -3.800085
H -3.198323 2.078057 -2.973197
H -2.328173 0.910898 -4.038414
H 4.141705 1.969425 -1.770375
H 3.034658 1.883235 -3.191858
H 4.088481 0.473862 -2.785769
H 1.004268 -3.350298 -3.358631
H -0.790630 -3.548254 -3.386663
H 0.204406 -4.461008 -2.183767


