%chk=000225513.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225513

0 1
O 1.590337 -1.711363 -1.490468
O 0.282763 -2.593210 0.211739
O 0.478698 0.908602 -1.720581
O -0.535840 -0.181139 1.557547
O 4.294226 -0.020015 -0.546659
O -3.251853 -2.030164 -0.122201
O 1.052485 3.144688 -1.531425
O -2.486739 1.048530 1.676425
O 3.921751 2.018999 0.358791
O -2.967153 -3.788229 -1.520585
O 0.534498 3.340725 0.653092
O -3.203707 -0.156672 3.454672
C 0.744018 0.332548 -0.412115
C -0.567238 -0.286667 0.110265
C 1.947508 -0.611211 -0.624962
C -0.828206 -1.773504 -0.212936
C 3.095329 0.084877 -1.369430
C -2.014155 -2.350255 0.574564
C 1.214588 -2.911164 -0.817513
C -0.041573 2.217699 -1.754474
C -1.104424 0.998676 2.101778
C 4.604492 1.020547 0.296162
C -3.639608 -2.851876 -1.167823
C 5.847910 0.689319 1.040968
C -4.940951 -2.367092 -1.702070
C 1.260786 3.660336 -0.263193
C -3.445264 0.329608 2.379088
C 2.422107 4.576550 -0.279781
C -4.699225 0.302404 1.582356
H 1.063366 1.141745 0.296586
H -1.438244 0.300137 -0.280514
H 2.277683 -0.999656 0.370150
H -0.981524 -1.876571 -1.315272
H 3.380143 -0.472948 -2.284361
H 2.882422 1.143430 -1.616046
H -1.915023 -3.445831 0.693550
H -2.156692 -1.866110 1.561836
H 2.050287 -3.371412 -0.265377
H 0.777221 -3.525588 -1.622422
H -0.851634 2.393676 -1.030257
H -0.288381 2.372722 -2.821457
H -0.683727 1.931068 1.679079
H -1.006139 0.855918 3.192024
H 5.656571 0.657446 2.126353
H 6.623630 1.453156 0.871901
H 6.268567 -0.287152 0.747833
H -5.769481 -2.995676 -1.335293
H -4.956574 -2.426374 -2.802858
H -5.161275 -1.328647 -1.413573
H 3.323932 4.037044 0.089653
H 2.266741 5.438626 0.385211
H 2.665699 4.942019 -1.288953
H -4.843640 1.221970 0.996042
H -5.578661 0.153994 2.225831
H -4.657424 -0.539836 0.862299


%chk=000225513-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225513

0 1
O 1.829273 -2.039094 -1.492096
O 0.310604 -2.870677 0.191153
O 0.609428 0.454570 -2.024285
O -0.313345 -0.437520 1.498200
O 4.388180 -0.011158 -0.120935
O -3.219612 -1.738123 -0.237638
O 0.999339 2.848332 -2.039154
O -2.292142 0.886878 1.882413
O 3.502732 2.067483 0.454446
O -3.243196 -3.104797 -2.131589
O 0.141481 3.305797 0.088523
O -2.654009 -0.279293 3.881599
C 0.864838 0.070801 -0.607504
C -0.426345 -0.511859 0.021083
C 2.091488 -0.866442 -0.625877
C -0.737337 -1.976720 -0.348986
C 3.350873 -0.172757 -1.187347
C -2.040749 -2.496620 0.277830
C 1.341970 -3.206286 -0.774983
C 0.009011 1.739120 -2.212528
C -0.819404 0.787917 2.069069
C 4.349854 1.159560 0.635009
C -3.740753 -2.166861 -1.471002
C 5.435992 1.154187 1.686604
C -4.970544 -1.364690 -1.835793
C 0.953974 3.570831 -0.827679
C -3.106793 0.245695 2.843882
C 2.009999 4.642209 -0.798203
C -4.551230 0.295787 2.404702
H 1.150152 0.969292 -0.027164
H -1.291160 0.102655 -0.304824
H 2.278167 -1.199052 0.416063
H -0.782765 -2.057581 -1.453573
H 3.826061 -0.830435 -1.928216
H 3.122125 0.811198 -1.628450
H -2.159309 -3.565336 0.035420
H -2.046289 -2.329868 1.364366
H 2.130487 -3.686375 -0.164309
H 0.972832 -3.875577 -1.575126
H -0.835768 1.930746 -1.523782
H -0.274138 1.788457 -3.272216
H -0.441010 1.694738 1.568872
H -0.578249 0.733259 3.141145
H 5.091099 0.579042 2.565524
H 5.649083 2.184564 2.007442
H 6.348475 0.669462 1.306201
H -5.864002 -1.844388 -1.395231
H -5.094443 -1.352670 -2.929256
H -4.905658 -0.338141 -1.442637
H 2.908387 4.203625 -0.326610
H 1.668726 5.486780 -0.180016
H 2.269339 4.978641 -1.812963
H -4.828158 1.320508 2.105701
H -5.203455 -0.054789 3.217473
H -4.670706 -0.356327 1.520447


