%chk=000201770.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201770

0 1
O 4.756671 0.397169 -0.532990
O -5.413465 -0.596570 -0.771878
O 6.433498 -0.721633 0.521598
O -6.953182 -0.535966 0.884422
C 2.350823 0.396694 -0.243743
C 1.452395 -0.115448 0.927480
C 0.115356 0.636576 0.950539
C -0.624529 0.329766 -0.382917
C 3.678554 -0.390650 0.078157
C 1.648967 0.048582 -1.564939
C 2.367218 -0.054816 2.163747
C 0.250340 0.688812 -1.605723
C -1.983274 1.078429 -0.444450
C 3.775243 -0.393010 1.628350
C -0.761267 0.198254 2.133372
C 2.651356 1.899991 -0.183448
C -2.808176 0.886339 0.813656
C -2.083985 0.969152 2.131494
C -2.772470 0.619257 -1.690557
C -4.191711 1.191444 -1.711610
C 3.735382 -1.726306 -0.489414
C -4.142732 0.750314 0.790499
C -4.965696 0.782178 -0.456668
C 6.079565 0.112816 -0.274264
C 3.792041 -2.835420 -0.956080
C 6.918602 1.015524 -1.114272
C -6.405973 -1.147943 -0.004817
C -6.665229 -2.541914 -0.466492
H 1.225315 -1.198376 0.740668
H 0.301334 1.733373 1.028059
H -0.833814 -0.768046 -0.414245
H 1.564969 -1.048428 -1.685068
H 2.251488 0.397712 -2.424027
H 2.049098 -0.769061 2.939637
H 2.349225 0.943551 2.631880
H 0.352127 1.789191 -1.680738
H -0.261394 0.369062 -2.534016
H -1.782761 2.177309 -0.530889
H 4.523967 0.344696 1.964538
H 4.137540 -1.367034 2.002359
H -0.230335 0.368175 3.088632
H -0.959120 -0.890161 2.085527
H 3.363707 2.180937 -0.970543
H 1.745575 2.499984 -0.320324
H 3.100781 2.189414 0.772285
H -1.898937 2.040668 2.361668
H -2.725698 0.599486 2.958031
H -2.835089 -0.489119 -1.701815
H -2.234767 0.912123 -2.610987
H -4.167568 2.295869 -1.780765
H -4.729287 0.831588 -2.612221
H -4.728583 0.605209 1.699903
H -5.889486 1.389202 -0.316080
H 3.845362 -3.788366 -1.352486
H 6.317175 1.742051 -1.682711
H 7.506713 0.430048 -1.838635
H 7.632769 1.575491 -0.491462
H -6.442759 -3.261756 0.336433
H -6.053367 -2.814353 -1.340332
H -7.724201 -2.672355 -0.736230


%chk=000201770-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201770

0 1
O 4.770189 0.254297 -0.661162
O -5.203661 -0.826628 -0.919081
O 6.347400 -1.099334 0.423650
O -6.884453 -1.103641 0.676716
C 2.339922 0.532376 -0.195421
C 1.430160 0.073915 0.988077
C 0.074980 0.807268 1.020449
C -0.670353 0.545314 -0.326750
C 3.618633 -0.340834 0.115257
C 1.615284 0.241535 -1.528084
C 2.361149 0.140687 2.228760
C 0.210555 0.902546 -1.557326
C -2.053902 1.279968 -0.379812
C 3.786405 -0.199210 1.674777
C -0.804031 0.365498 2.211006
C 2.728632 2.033525 -0.115001
C -2.882778 0.979476 0.872651
C -2.158238 1.115134 2.201944
C -2.827695 0.939820 -1.680697
C -4.314165 1.339650 -1.599726
C 3.468672 -1.750030 -0.292571
C -4.204642 0.648699 0.827207
C -5.011466 0.616080 -0.444819
C 6.064225 -0.242561 -0.439730
C 3.337427 -2.928468 -0.626114
C 7.030743 0.404551 -1.410846
C -6.176039 -1.566880 -0.248972
C -6.228280 -2.986538 -0.777891
H 1.201109 -1.000380 0.807668
H 0.251702 1.901238 1.121952
H -0.880091 -0.548431 -0.365744
H 1.501291 -0.853303 -1.650475
H 2.216400 0.601875 -2.385641
H 2.050349 -0.570841 3.012935
H 2.342917 1.151616 2.678410
H 0.308042 2.005991 -1.622582
H -0.301079 0.582990 -2.484004
H -1.833454 2.374444 -0.373515
H 4.504929 0.613673 1.881064
H 4.206334 -1.119317 2.106260
H -0.279744 0.558858 3.166601
H -0.981455 -0.728202 2.151677
H 3.424816 2.283336 -0.932674
H 1.839274 2.677592 -0.214550
H 3.223484 2.294551 0.836224
H -1.953413 2.192087 2.389529
H -2.806853 0.765592 3.026482
H -2.766756 -0.151825 -1.861314
H -2.354571 1.441060 -2.544257
H -4.407672 2.430223 -1.426063
H -4.834755 1.109383 -2.547087
H -4.747169 0.421477 1.753531
H -6.030244 1.003697 -0.260431
H 3.243972 -3.961892 -0.904498
H 6.821344 1.481688 -1.513971
H 6.909851 -0.055162 -2.408575
H 8.063446 0.244531 -1.067869
H -5.460820 -3.595031 -0.265097
H -6.015574 -3.014418 -1.858082
H -7.215981 -3.423611 -0.567297


