%chk=000238791.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238791

0 1
O -0.375432 2.309639 0.653126
O 0.418898 -1.305927 -1.998214
O -3.173151 2.711443 0.850710
O 3.205583 -1.618008 -2.274395
O -5.100784 -1.858113 -0.338629
O 3.264986 1.276918 3.036088
C -0.726753 0.077284 0.075013
C 0.735453 -0.088475 -0.026180
C -1.296308 1.323287 0.424302
C 1.321395 -0.779283 -1.109205
C -1.575805 -1.016640 -0.171892
C 1.574814 0.441588 0.970183
C -2.960295 -0.890208 -0.077455
C 2.962630 0.307350 0.899884
C -2.714638 1.446844 0.510843
C 2.739902 -0.914177 -1.172767
C -3.531890 0.351630 0.263151
C 3.550520 -0.376200 -0.179159
C -3.897039 -2.026065 -0.332096
C 3.778389 0.906584 2.000386
C -3.307183 -3.386597 -0.573235
C 5.259332 1.052106 1.780254
C -0.843456 3.638877 1.003773
C 0.901790 -1.763410 -3.288670
C -4.607768 2.887964 0.953959
C 4.639242 -1.688378 -2.462916
H -1.118690 -1.969843 -0.453561
H 1.128028 0.984242 1.815369
H -4.621508 0.421319 0.321283
H 4.630577 -0.489158 -0.226963
H -2.700124 -3.724399 0.276871
H -2.668903 -3.402687 -1.466186
H -4.100919 -4.133865 -0.725510
H 5.486672 1.583555 0.848385
H 5.761141 0.077187 1.749538
H 5.717534 1.621891 2.603938
H -1.453525 4.048479 0.192129
H 0.103104 4.180195 1.117703
H -1.405588 3.602139 1.943303
H 1.473605 -0.974743 -3.786144
H -0.036990 -1.974166 -3.813534
H 1.507420 -2.667371 -3.154398
H -5.014760 2.251111 1.745168
H -5.086856 2.695223 -0.010694
H -4.680005 3.948501 1.225484
H 5.104046 -2.241626 -1.641746
H 5.062031 -0.686041 -2.574350
H 4.710281 -2.251475 -3.402645


%chk=000238791-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238791

0 1
O -0.505230 2.463364 0.163673
O 0.504811 -1.435705 -2.092004
O -3.286231 2.753471 0.486437
O 3.257672 -1.755480 -2.254590
O -5.140643 -2.031900 0.124000
O 3.238747 1.761749 2.792602
C -0.748661 0.073913 -0.005503
C 0.737267 -0.060917 -0.106303
C -1.346456 1.349915 0.213657
C 1.340871 -0.808048 -1.159381
C -1.578439 -1.070661 -0.091191
C 1.575063 0.526347 0.869629
C -2.979609 -0.972812 0.060046
C 2.981021 0.398594 0.821241
C -2.773127 1.453193 0.341387
C 2.765738 -0.961026 -1.203729
C -3.570882 0.300411 0.280207
C 3.577452 -0.355918 -0.226215
C -3.885593 -2.163167 -0.016188
C 3.794990 1.072684 1.884710
C -3.277553 -3.539969 -0.266902
C 5.315104 0.922673 1.859566
C -0.605103 3.508730 1.208158
C 0.701691 -1.108697 -3.523553
C -4.745275 2.894093 0.550655
C 4.700921 -2.003036 -2.296799
H -1.106285 -2.038028 -0.274709
H 1.145906 1.103501 1.692375
H -4.660498 0.335873 0.374738
H 4.663453 -0.474161 -0.264666
H -2.563964 -3.809768 0.533784
H -2.721659 -3.562984 -1.222439
H -4.084698 -4.287424 -0.297770
H 5.739644 1.328110 0.921884
H 5.612922 -0.140374 1.929398
H 5.741459 1.471960 2.712424
H -1.566258 4.040008 1.140619
H 0.240009 4.182110 1.002067
H -0.486909 3.059665 2.212353
H 0.568736 -0.022256 -3.682081
H -0.089449 -1.663929 -4.049310
H 1.698504 -1.431261 -3.864537
H -5.160930 2.373423 1.434253
H -5.222623 2.503917 -0.368151
H -4.924054 3.976009 0.635411
H 5.045867 -2.510719 -1.375399
H 5.268823 -1.063228 -2.440730
H 4.852458 -2.663745 -3.162824


