%chk=000191023.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191023

0 1
O -1.132154 -0.813152 -0.280022
O -2.716600 0.173151 -1.627742
O 2.225901 0.713391 -0.700767
O -0.826327 2.504730 -0.152845
O 2.929835 0.930686 1.492142
O -2.381401 3.270751 -1.556691
C -0.449759 0.251165 -0.952441
C -2.571720 -0.667486 -0.432910
C 0.002299 1.323899 0.066444
C -1.528964 0.932106 -1.828693
C 1.457436 1.792155 -0.141678
C 3.003137 0.048788 0.339159
C -3.158418 -2.027738 -0.789660
C -3.196576 0.054380 0.757397
C 2.185491 2.124311 1.172094
C 2.353507 -1.273143 0.743007
C 4.454093 -0.016674 -0.131941
C -3.313584 -2.911544 0.452559
C -3.332380 -0.883727 1.960945
C -1.692686 2.347950 -1.243438
C -4.057188 -2.180954 1.578140
C 2.635362 -2.377828 -0.279854
C 4.674433 -1.155530 -1.132063
C 4.132651 -2.486809 -0.595702
H 0.398451 -0.233231 -1.484959
H -0.211913 1.005315 1.110488
H -1.354814 0.947936 -2.922092
H 1.505791 2.603345 -0.900770
H -2.510521 -2.525253 -1.539444
H -4.137209 -1.870562 -1.288865
H -4.192055 0.440798 0.451415
H -2.603790 0.949266 1.029136
H 2.913060 2.946545 1.064280
H 1.532223 2.305430 2.040828
H 1.259538 -1.138152 0.866179
H 2.735552 -1.559294 1.744523
H 5.103545 -0.143133 0.758558
H 4.740599 0.953331 -0.583532
H -2.310374 -3.224153 0.807805
H -3.848756 -3.841252 0.182001
H -3.876116 -0.368634 2.775340
H -2.325824 -1.120285 2.361162
H -5.094671 -1.956423 1.263868
H -4.142348 -2.840000 2.462601
H 2.069625 -2.172440 -1.210745
H 2.254331 -3.343470 0.103035
H 5.752666 -1.246553 -1.361550
H 4.174390 -0.905632 -2.089746
H 4.690602 -2.784287 0.312794
H 4.304427 -3.289890 -1.336552


%chk=000191023-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191023

0 1
O -1.555421 -0.840543 -0.221904
O -2.980476 0.428678 -1.623914
O 2.262229 0.209258 -0.722629
O -0.709203 2.279997 0.286384
O 2.910295 1.001837 1.415119
O -2.416320 3.402368 -0.826261
C -0.702957 0.151245 -0.903589
C -2.998297 -0.523322 -0.479333
C 0.086964 1.022682 0.095765
C -1.693157 1.119004 -1.600430
C 1.487243 1.429887 -0.410843
C 3.235487 -0.030098 0.411260
C -3.713627 -1.795767 -0.942515
C -3.634768 0.101539 0.774839
C 2.327951 2.136356 0.671483
C 2.982988 -1.408722 1.030625
C 4.663195 0.128388 -0.139675
C -3.819202 -2.827248 0.206525
C -3.742396 -0.939289 1.917320
C -1.696755 2.401807 -0.725310
C -4.495125 -2.209695 1.453373
C 3.347640 -2.545384 0.045155
C 5.008687 -1.008771 -1.132086
C 4.795461 -2.396753 -0.481465
H -0.021629 -0.389406 -1.578610
H 0.161711 0.534789 1.081071
H -1.449347 1.375738 -2.643420
H 1.404431 2.026681 -1.338228
H -3.166360 -2.211017 -1.806846
H -4.724762 -1.506605 -1.288736
H -4.641842 0.464456 0.492240
H -3.048022 0.978601 1.104203
H 3.116126 2.767761 0.218820
H 1.727151 2.725430 1.380289
H 1.923814 -1.472421 1.338604
H 3.603179 -1.482734 1.945155
H 5.358865 0.102663 0.721855
H 4.765161 1.117002 -0.624181
H -2.801471 -3.173302 0.472402
H -4.384392 -3.711183 -0.144113
H -4.251672 -0.479731 2.785201
H -2.721626 -1.217392 2.245182
H -5.546337 -1.947892 1.211949
H -4.528124 -2.950921 2.274493
H 2.642610 -2.520527 -0.808611
H 3.216410 -3.522577 0.546800
H 6.054687 -0.896663 -1.474963
H 4.358633 -0.916334 -2.023777
H 5.508930 -2.522375 0.359529
H 5.016238 -3.197292 -1.213004


