%chk=000267355.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267355

0 1
O 1.337461 0.223488 3.908736
O 1.151886 0.843134 0.487942
O -0.539516 -1.836820 2.305967
O -0.873632 2.445821 2.020553
O 2.831455 -0.988491 2.656052
C 0.080781 0.245719 1.250593
C 0.603519 -1.083212 1.845270
C -0.244423 1.223913 2.398137
C 1.476476 -0.945365 3.115755
C 1.031183 1.459046 3.222910
C 1.118974 0.594351 -0.935091
C -0.973217 -2.900444 1.429000
C -0.238963 3.263297 1.011798
C 1.936752 -0.611573 -1.314207
C -1.715418 -2.356474 0.237087
C -0.927170 3.095843 -0.318760
C 1.663270 -1.276626 -2.518606
C 2.991561 -1.047555 -0.501036
C -1.190118 -2.497053 -1.054126
C -2.942601 -1.701765 0.423387
C -0.353793 3.675517 -1.461312
C -2.127132 2.381264 -0.427472
C 2.441375 -2.372358 -2.902561
C 3.762905 -2.146414 -0.886573
C -1.895568 -1.996237 -2.152958
C -3.641580 -1.199097 -0.676337
C -0.978552 3.532707 -2.702750
C -2.744271 2.236458 -1.672591
C 3.490977 -2.809346 -2.088000
C -3.120371 -1.348653 -1.966412
C -2.171747 2.810480 -2.812022
H -0.809575 0.068211 0.607057
H 1.177137 -1.647091 1.071222
H -1.049697 0.777434 3.043385
H 1.307838 -1.764873 3.851426
H 1.893270 1.755495 2.601422
H 0.880642 2.168276 4.054499
H 1.582830 1.522406 -1.333379
H 0.072369 0.533594 -1.289624
H -1.639589 -3.474142 2.106568
H -0.110125 -3.531050 1.150706
H 0.841458 3.034616 0.942551
H -0.391410 4.286862 1.411055
H 3.406512 -0.455548 3.245819
H 0.849291 -0.940370 -3.157577
H 3.190543 -0.533339 0.448227
H -0.229695 -2.990078 -1.208729
H -3.343017 -1.581110 1.430183
H 0.573221 4.239486 -1.383778
H -2.571757 1.946882 0.470483
H 2.230994 -2.884943 -3.839226
H 4.577638 -2.484754 -0.247759
H -1.489019 -2.114037 -3.156089
H -4.594462 -0.693369 -0.528667
H -0.535393 3.986679 -3.587521
H -3.674032 1.675619 -1.753010
H 4.095845 -3.662021 -2.389018
H -3.668192 -0.961581 -2.823606
H -2.655031 2.700892 -3.780095


%chk=000267355-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267355

0 1
O 1.120686 0.187606 4.016113
O 1.208347 0.901461 0.503086
O -0.378747 -1.955992 2.419744
O -1.206251 2.225326 1.876283
O 2.960668 -0.503010 2.622238
C 0.154020 0.160107 1.217494
C 0.727027 -1.128740 1.892601
C -0.425127 1.066390 2.324127
C 1.626028 -0.842024 3.119060
C 0.690040 1.430502 3.326640
C 1.277920 0.665851 -0.949981
C -0.859584 -3.019250 1.507208
C -0.537785 3.272632 1.085343
C 2.032127 -0.591830 -1.368013
C -1.798820 -2.526143 0.417080
C -0.923567 3.225594 -0.389492
C 1.646111 -1.283395 -2.543883
C 3.162777 -1.043712 -0.640935
C -1.477463 -2.694288 -0.952034
C -3.022125 -1.894437 0.764380
C -0.202710 4.007124 -1.327954
C -2.006559 2.435593 -0.843098
C 2.382965 -2.402763 -2.996617
C 3.893397 -2.167512 -1.088196
C -2.361679 -2.241008 -1.959439
C -3.904316 -1.437779 -0.237972
C -0.557481 4.000277 -2.695422
C -2.359181 2.421934 -2.212825
C 3.510983 -2.848294 -2.268893
C -3.576548 -1.611786 -1.605020
C -1.638263 3.203934 -3.144373
H -0.643124 -0.134300 0.508881
H 1.318496 -1.702926 1.154753
H -1.173063 0.462055 2.869120
H 1.652800 -1.743455 3.759167
H 1.556617 1.901539 2.827264
H 0.300888 2.079622 4.125749
H 1.806238 1.561188 -1.327433
H 0.258006 0.672343 -1.385749
H -1.386016 -3.709225 2.190920
H 0.006538 -3.552479 1.063417
H 0.560612 3.215161 1.185471
H -0.884996 4.228120 1.526667
H 3.531249 -0.313484 3.411484
H 0.768267 -0.941893 -3.108067
H 3.440383 -0.531674 0.287072
H -0.530977 -3.172006 -1.233722
H -3.270765 -1.753285 1.823020
H 0.642430 4.621152 -0.989682
H -2.561032 1.835304 -0.114680
H 2.077251 -2.925202 -3.910656
H 4.761949 -2.511474 -0.514857
H -2.101989 -2.378568 -3.015239
H -4.845319 -0.951375 0.042822
H 0.009601 4.609017 -3.409205
H -3.196895 1.799659 -2.549091
H 4.082700 -3.716484 -2.616340
H -4.264225 -1.263458 -2.384225
H -1.913414 3.195462 -4.205212


