%chk=000268837.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268837

0 1
O -0.712862 -0.732071 -0.807102
O -0.382444 2.057355 0.750517
O -2.605901 1.484300 0.626955
O 2.454849 -0.626159 -0.890056
O 3.500868 1.310121 -0.234850
O -2.100073 -2.024457 0.493964
O -3.314759 -2.885487 -1.210506
C -0.426211 0.670744 1.116338
C 0.318735 -0.249648 0.120128
C -1.928494 0.282445 0.993621
C 1.396835 0.354029 -0.791803
C -1.979393 -0.737407 -0.169445
C -1.643873 2.468094 0.141237
C 2.094832 1.633859 -0.293308
C 3.681460 -0.122390 -0.298516
C -1.543002 2.402447 -1.366831
C -2.018139 3.806235 0.734856
C 3.843437 -0.693953 1.100674
C 4.816534 -0.408091 -1.259348
C -2.736968 -3.066998 -0.169877
C -2.582884 -4.306122 0.635704
H -0.006127 0.633649 2.138564
H 0.718971 -1.154792 0.636263
H -2.423235 -0.076403 1.915481
H 1.003634 0.440726 -1.832557
H -2.744381 -0.606824 -0.956750
H 2.022314 2.475738 -1.000619
H 1.795592 1.967829 0.714887
H -2.524170 2.550577 -1.837108
H -0.861322 3.165550 -1.759905
H -1.170813 1.422230 -1.706333
H -2.326128 3.697230 1.785741
H -1.164953 4.497811 0.716196
H -2.852925 4.272042 0.196974
H 3.085548 -0.296857 1.784740
H 4.823324 -0.438532 1.521740
H 3.748646 -1.786392 1.091449
H 4.516315 -0.176232 -2.291875
H 5.115961 -1.461694 -1.234222
H 5.691486 0.212507 -1.026972
H -2.174568 -4.110306 1.640073
H -1.894875 -5.007605 0.133709
H -3.548239 -4.824001 0.751073


%chk=000268837-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268837

0 1
O -0.639618 -0.668420 -0.634646
O -0.581445 2.271406 0.633731
O -2.820577 1.618819 0.285732
O 2.402764 -0.751496 -0.382854
O 3.725933 1.092018 0.330498
O -2.173836 -1.969356 0.679501
O -3.075760 -3.057827 -1.188719
C -0.692043 0.909751 1.183889
C 0.210470 -0.133180 0.474783
C -2.154925 0.452116 0.866408
C 1.510506 0.400432 -0.111813
C -1.987397 -0.725011 -0.126447
C -1.788658 2.582054 -0.189260
C 2.360176 1.249189 0.858656
C 3.807210 -0.255540 -0.313853
C -1.493003 2.382813 -1.682191
C -2.260091 3.988276 0.169827
C 4.593832 -1.229749 0.565901
C 4.385055 -0.057585 -1.717412
C -2.676648 -3.101522 -0.009128
C -2.641360 -4.311978 0.894142
H -0.474035 0.976492 2.262189
H 0.441665 -0.961438 1.173407
H -2.739128 0.145384 1.746409
H 1.303630 0.960119 -1.043198
H -2.682542 -0.729945 -0.979132
H 2.107429 2.318666 0.834796
H 2.291720 0.861832 1.897649
H -2.408773 2.568668 -2.269694
H -0.716211 3.097271 -2.006806
H -1.140486 1.357902 -1.884595
H -2.451295 4.053762 1.252600
H -1.488880 4.727351 -0.105699
H -3.189610 4.226070 -0.374702
H 4.178060 -1.238425 1.587317
H 5.654238 -0.928461 0.614628
H 4.530808 -2.250559 0.150586
H 3.711816 0.574836 -2.319555
H 4.505042 -1.031587 -2.222027
H 5.369569 0.437657 -1.654537
H -2.996689 -4.055431 1.905416
H -1.598770 -4.666235 0.987538
H -3.255543 -5.116046 0.463565


