%chk=000183474.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183474

0 1
O -1.871180 1.742006 -0.191949
O -1.339541 0.081561 1.248958
O 3.435828 0.265326 -0.089909
C -2.274127 -1.532203 -1.256288
C -2.963252 -0.291434 -0.587439
C -4.190262 -0.652453 0.267071
C -0.972008 -1.067829 -1.935113
C -3.226556 -2.100041 -2.324138
C -1.951404 -2.612277 -0.213853
C -5.053645 0.578000 0.578070
C -1.970520 0.446964 0.285306
C -6.240099 0.217367 1.467840
C -0.905890 2.637297 0.432479
C 0.431937 2.440223 -0.231288
C 1.259320 1.392661 0.198154
C 0.837480 3.286548 -1.270178
C 2.484139 1.214002 -0.447090
C 2.079807 3.091290 -1.889518
C 2.916727 2.051870 -1.491486
C 3.066890 -0.904515 0.581286
C 1.894023 -1.617395 0.318355
C 4.049958 -1.363638 1.471820
C 1.703477 -2.832740 0.982670
C 3.836150 -2.583318 2.113894
C 2.666311 -3.316193 1.874390
H -3.288571 0.396520 -1.413910
H -4.797881 -1.410779 -0.267269
H -3.867112 -1.137826 1.210834
H -1.117184 -0.162910 -2.534820
H -0.177858 -0.850139 -1.200486
H -0.576664 -1.838780 -2.605330
H -2.810486 -3.004253 -2.781903
H -3.408175 -1.382183 -3.130676
H -4.199220 -2.370811 -1.897561
H -1.330269 -3.405301 -0.641689
H -1.407299 -2.187868 0.644035
H -2.854912 -3.086373 0.181339
H -4.439267 1.358102 1.071301
H -5.416008 1.034951 -0.363907
H -6.890526 -0.527766 0.996191
H -5.913334 -0.194036 2.430303
H -6.854754 1.099209 1.682750
H -1.355648 3.628290 0.238069
H -0.872840 2.440612 1.521872
H 0.941681 0.742951 1.018859
H 0.189388 4.092961 -1.605687
H 2.391599 3.756463 -2.695234
H 3.883029 1.878245 -1.959438
H 1.141468 -1.241923 -0.382883
H 4.947852 -0.774119 1.641220
H 0.793925 -3.405653 0.800644
H 4.583402 -2.964521 2.809597
H 2.506499 -4.262743 2.385635


%chk=000183474-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183474

0 1
O -1.872134 1.800727 -0.466935
O -1.482555 0.145117 1.128194
O 3.616582 0.305567 0.198912
C -2.454383 -1.403508 -1.530070
C -3.136713 -0.248411 -0.680846
C -4.235803 -0.733940 0.303606
C -1.279846 -0.808131 -2.355545
C -3.500929 -1.975664 -2.524634
C -1.921080 -2.543654 -0.622617
C -5.078486 0.422679 0.891480
C -2.088441 0.538550 0.100883
C -6.186480 -0.082573 1.839928
C -0.824228 2.664261 0.197751
C 0.549971 2.411413 -0.383275
C 1.396939 1.436850 0.202310
C 0.996102 3.150572 -1.507483
C 2.672643 1.200691 -0.357761
C 2.280452 2.912761 -2.046596
C 3.124172 1.936080 -1.477599
C 3.218893 -0.866356 0.896324
C 2.103030 -1.648038 0.517959
C 4.074907 -1.274707 1.942429
C 1.840364 -2.847202 1.216497
C 3.803277 -2.479679 2.626237
C 2.683983 -3.268599 2.270281
H -3.588515 0.455127 -1.407471
H -4.912301 -1.435417 -0.221170
H -3.762016 -1.293765 1.131939
H -1.614063 0.047524 -2.971082
H -0.458926 -0.448494 -1.707910
H -0.863310 -1.577428 -3.032349
H -3.035421 -2.762162 -3.147560
H -3.881327 -1.187564 -3.201764
H -4.363506 -2.429759 -2.005593
H -1.363879 -3.278174 -1.234844
H -1.248064 -2.149842 0.159522
H -2.744093 -3.083577 -0.120545
H -4.416816 1.122010 1.440821
H -5.532509 1.005347 0.064117
H -6.885833 -0.757136 1.310577
H -5.753648 -0.645956 2.687861
H -6.775227 0.755211 2.256194
H -1.179406 3.683694 -0.018747
H -0.855850 2.459495 1.281524
H 1.050049 0.876471 1.076185
H 0.339738 3.904351 -1.957050
H 2.627449 3.486894 -2.912321
H 4.122829 1.734121 -1.876028
H 1.453966 -1.334352 -0.305235
H 4.934299 -0.648424 2.199751
H 0.973392 -3.452903 0.930228
H 4.464780 -2.798987 3.439068
H 2.472367 -4.199713 2.806353


