%chk=000227847.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227847

0 1
O -0.048674 2.420656 -0.706531
O -4.937360 1.033911 0.252645
C 0.489105 0.288763 0.479961
C -0.340737 -0.821104 -0.225802
C -1.742336 -0.820132 0.399912
C 1.953812 0.323793 -0.075101
C -2.475648 0.530205 0.137371
C 2.576907 -1.083086 0.208172
C -0.208846 1.674528 0.506690
C -1.709669 1.633763 0.876221
C 0.325315 -2.199917 -0.049050
C -2.764955 -1.888896 -0.027178
C -3.887355 0.199382 0.730342
C 1.787465 -2.192838 -0.506955
C 2.775970 1.380808 0.711261
C -4.130250 -1.293059 0.382162
C 4.067060 -1.130629 -0.175379
C 1.986949 0.658517 -1.573787
C -2.621596 0.871956 -1.352287
C 4.274122 1.328959 0.384568
C 4.860129 -0.072105 0.601903
H 0.568443 -0.009851 1.559373
H -0.402167 -0.596648 -1.316132
H -1.607508 -0.929144 1.508705
H 2.507750 -1.265342 1.309976
H 0.325196 2.341214 1.229464
H -1.814384 1.510468 1.969535
H -2.154146 2.624405 0.648041
H -0.240206 -2.959747 -0.620303
H 0.268848 -2.515609 1.010399
H -2.577331 -2.854166 0.468012
H -2.720320 -2.081925 -1.111482
H -3.934463 0.388896 1.823969
H 2.247421 -3.177302 -0.300488
H 1.844927 -2.058697 -1.603449
H 2.633012 1.235007 1.797314
H 2.388235 2.392659 0.478271
H -4.872633 -1.387988 -0.426448
H -4.558769 -1.827116 1.245237
H 4.186161 -0.967351 -1.263741
H 4.478488 -2.135672 0.029850
H 2.989220 0.509084 -1.990528
H 1.295262 0.036144 -2.148133
H 1.718436 1.710936 -1.742806
H -1.644302 1.053681 -1.825619
H -3.099099 0.062196 -1.913600
H -3.217128 1.784712 -1.484220
H 4.814705 2.063992 1.010052
H 4.438120 1.644583 -0.664163
H 5.920550 -0.090138 0.289237
H 4.855999 -0.317141 1.681193
H -0.467985 1.944518 -1.463377
H -5.035139 0.974070 -0.717776


%chk=000227847-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227847

0 1
O -0.107005 2.510752 -0.835602
O -4.968638 1.100002 0.632350
C 0.497765 0.311827 0.358842
C -0.345119 -0.833108 -0.303308
C -1.762033 -0.831076 0.308443
C 1.995800 0.335356 -0.142706
C -2.511075 0.524844 0.151463
C 2.607855 -1.073295 0.210911
C -0.217755 1.703712 0.406969
C -1.695655 1.614133 0.880872
C 0.342104 -2.206945 -0.083894
C -2.802228 -1.890974 -0.145897
C -3.866322 0.153478 0.836888
C 1.834666 -2.218107 -0.481696
C 2.792634 1.420347 0.648038
C -4.170431 -1.302217 0.338890
C 4.133063 -1.148200 -0.042411
C 2.107091 0.631163 -1.666828
C -2.797213 0.894642 -1.332116
C 4.320839 1.357364 0.414801
C 4.890775 -0.044985 0.732683
H 0.560082 0.026502 1.437582
H -0.424158 -0.662063 -1.398034
H -1.621440 -0.971752 1.406761
H 2.466027 -1.202261 1.310230
H 0.326518 2.338995 1.127168
H -1.694466 1.381965 1.967046
H -2.155912 2.613178 0.765525
H -0.208106 -2.990323 -0.641024
H 0.258910 -2.466103 0.994031
H -2.602021 -2.886910 0.285539
H -2.784721 -2.004406 -1.247128
H -3.730106 0.168164 1.933712
H 2.285977 -3.191841 -0.203103
H 1.938379 -2.130353 -1.581824
H 2.594027 1.285668 1.734111
H 2.419902 2.424439 0.370735
H -4.913692 -1.273141 -0.481745
H -4.620878 -1.903176 1.147529
H 4.347777 -1.060231 -1.126994
H 4.500295 -2.148499 0.265018
H 3.130520 0.445603 -2.036235
H 1.430446 -0.000531 -2.269357
H 1.854765 1.686169 -1.861310
H -1.912422 0.759979 -1.981514
H -3.583793 0.252211 -1.772747
H -3.126436 1.945501 -1.414749
H 4.820789 2.121033 1.042634
H 4.550806 1.620141 -0.636942
H 5.973005 -0.082908 0.499997
H 4.790242 -0.237120 1.821700
H -0.533944 2.021037 -1.580996
H -5.250891 1.058521 -0.316810


