%chk=000183641.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183641

0 1
O -3.683457 -0.432223 -0.193247
O -1.330340 -2.238903 -0.990268
O -0.534487 2.731991 1.429306
C 0.070060 -0.535596 -0.141913
C 0.282976 0.721039 0.473785
C 1.222320 -1.414451 -0.545983
C 1.669142 1.228385 0.765112
C 1.830161 -2.133116 0.668127
C 2.358963 1.743189 -0.507386
C -1.241436 -0.995046 -0.396034
C -0.817249 1.524400 0.830656
C -2.130078 1.094265 0.586619
C -2.312818 -0.172369 -0.028537
C 3.000467 -3.035674 0.257472
C 3.766187 2.274631 -0.207207
C -3.459524 1.630332 0.806846
C 3.613550 -3.744850 1.463008
C 4.459794 2.777152 -1.471570
C -4.337305 0.701866 0.334236
C -2.665556 -2.678368 -1.347235
H 0.884893 -2.164785 -1.295282
H 1.996289 -0.802474 -1.062267
H 1.623072 2.042975 1.521332
H 2.272937 0.419059 1.233096
H 1.047966 -2.730879 1.175454
H 2.170893 -1.382105 1.411972
H 1.741874 2.538457 -0.968564
H 2.412410 0.925591 -1.257331
H 2.655190 -3.785816 -0.481189
H 3.776332 -2.437245 -0.258830
H 3.707513 3.093413 0.536944
H 4.377526 1.480568 0.264298
H -3.681033 2.577768 1.256292
H 2.878163 -4.375288 1.976164
H 4.001093 -3.030487 2.198083
H 4.445776 -4.390494 1.161599
H 3.896549 3.590569 -1.943401
H 4.569301 1.980686 -2.216134
H 5.462220 3.158689 -1.248288
H -5.399848 0.616436 0.262982
H -1.364335 3.218812 1.657377
H -3.284232 -2.772402 -0.448423
H -2.468197 -3.655049 -1.803112
H -3.115123 -1.983054 -2.062857


%chk=000183641-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183641

0 1
O -3.609073 -0.481694 0.014612
O -1.281945 -2.397089 -0.708920
O -0.416150 2.878433 1.241807
C 0.172572 -0.574840 -0.078619
C 0.403563 0.743666 0.438743
C 1.327119 -1.508104 -0.413488
C 1.808797 1.293245 0.637845
C 1.725902 -2.422002 0.779429
C 2.347733 2.046889 -0.610391
C -1.153208 -1.069531 -0.259936
C -0.693632 1.579470 0.753007
C -2.017068 1.111046 0.573101
C -2.215547 -0.208120 0.083140
C 2.883583 -3.383216 0.429234
C 3.758877 2.633525 -0.384329
C -3.342365 1.669817 0.806510
C 3.287595 -4.290753 1.611111
C 4.308377 3.371024 -1.624401
C -4.253993 0.696078 0.463895
C -2.514525 -2.774766 -1.424284
H 1.030355 -2.157835 -1.256688
H 2.210713 -0.929250 -0.739536
H 1.799261 2.001032 1.486737
H 2.509831 0.480326 0.902328
H 0.838024 -3.006416 1.089541
H 2.013416 -1.794487 1.648033
H 1.642916 2.862565 -0.864861
H 2.365097 1.359772 -1.481222
H 2.583936 -4.010634 -0.435093
H 3.762580 -2.793431 0.095837
H 3.726461 3.329689 0.478504
H 4.454561 1.817200 -0.099349
H -3.598446 2.661812 1.177321
H 2.432607 -4.908588 1.944572
H 3.623337 -3.689238 2.476944
H 4.111608 -4.974341 1.334415
H 3.643774 4.206706 -1.914424
H 4.383629 2.687748 -2.491457
H 5.314471 3.789187 -1.435397
H -5.339585 0.652439 0.470442
H -1.253209 3.336453 1.499253
H -3.386758 -2.770987 -0.749654
H -2.322483 -3.792812 -1.796196
H -2.704108 -2.090388 -2.272412


