%chk=000227918.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227918

0 1
O -0.662188 -0.689292 -0.676558
O -0.176110 -2.108716 1.017055
C -2.900745 0.057523 -0.143157
C -4.388241 -0.226688 -0.431997
C -2.630458 0.343932 1.347623
C -5.252200 1.033159 -0.291264
C -2.059803 -1.119023 -0.663483
C -6.728331 0.738032 -0.592856
C -2.881274 -0.839290 2.276859
C -7.593276 1.988633 -0.452313
C 5.535467 0.990187 -0.108144
C 4.130328 0.421237 -0.032821
C 0.193218 -1.244320 0.250898
C 1.543583 -0.651693 0.130885
C 3.841415 -0.591651 0.896666
C 3.112678 0.891796 -0.879099
C 2.556477 -1.126844 0.979924
C 1.826272 0.360259 -0.799657
C 6.143965 0.727069 -1.490657
C 5.524341 2.486405 0.226611
H -2.590806 0.968908 -0.717443
H -4.757180 -1.014226 0.254915
H -4.503042 -0.637636 -1.453710
H -1.578025 0.677123 1.456918
H -3.255368 1.202967 1.664141
H -4.881665 1.825298 -0.969722
H -5.154116 1.443926 0.733169
H -2.170267 -2.034485 -0.053995
H -2.247427 -1.341706 -1.727933
H -6.829691 0.327089 -1.616324
H -7.100932 -0.051966 0.088400
H -2.154375 -1.648332 2.099193
H -2.780018 -0.545023 3.326925
H -3.884709 -1.257548 2.145336
H -7.274907 2.779673 -1.140701
H -7.546616 2.399720 0.562618
H -8.644766 1.769113 -0.668757
H 6.178439 0.474014 0.652748
H 4.621633 -0.965021 1.558291
H 3.329441 1.676467 -1.602222
H 2.327164 -1.915721 1.701970
H 1.032074 0.723938 -1.457184
H 6.128308 -0.341613 -1.735229
H 7.186341 1.061874 -1.532882
H 5.600991 1.251124 -2.285120
H 4.961857 3.068542 -0.511851
H 6.541897 2.891717 0.254293
H 5.066448 2.671568 1.205443


%chk=000227918-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227918

0 1
O -0.635193 -0.488594 -0.736026
O -0.142140 -2.025804 0.958006
C -2.974862 0.211118 -0.235774
C -4.451858 -0.173794 -0.533463
C -2.701331 0.564133 1.253548
C -5.479041 0.925047 -0.179326
C -2.062931 -0.920818 -0.750445
C -6.919246 0.554956 -0.603436
C -3.050234 -0.540352 2.277699
C -7.950655 1.647133 -0.247160
C 5.745109 0.884187 -0.073226
C 4.302618 0.377029 -0.020903
C 0.227151 -1.116542 0.170664
C 1.614981 -0.580838 0.078895
C 3.923296 -0.636952 0.896858
C 3.306945 0.902310 -0.889478
C 2.598709 -1.114010 0.949715
C 1.979961 0.434812 -0.843725
C 6.403188 0.579689 -1.446359
C 5.830402 2.398684 0.256803
H -2.738773 1.116217 -0.836102
H -4.715194 -1.107072 0.005618
H -4.546203 -0.407383 -1.615486
H -1.630659 0.828691 1.356930
H -3.263391 1.485126 1.503208
H -5.185806 1.876381 -0.671142
H -5.465248 1.120070 0.911609
H -2.159944 -1.840579 -0.147049
H -2.277881 -1.142341 -1.810716
H -6.940331 0.365685 -1.696265
H -7.206504 -0.400049 -0.117644
H -2.448699 -1.451397 2.110181
H -2.835406 -0.189899 3.303945
H -4.120785 -0.814561 2.239854
H -7.702369 2.604043 -0.744182
H -7.971043 1.832299 0.843522
H -8.971156 1.358897 -0.559773
H 6.319424 0.338599 0.702452
H 4.677131 -1.054832 1.575144
H 3.573171 1.685341 -1.609463
H 2.304068 -1.897391 1.655895
H 1.218019 0.841962 -1.514099
H 6.379441 -0.501727 -1.670749
H 7.457477 0.913138 -1.451581
H 5.877740 1.106599 -2.264343
H 5.289189 3.001443 -0.495888
H 6.884164 2.733432 0.262981
H 5.390497 2.618415 1.246081


