%chk=000215348.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215348

0 1
O 1.317117 -1.269140 -1.134388
O 2.169018 2.685152 1.443018
C 3.438812 -1.131762 0.146121
C 2.604898 -1.960466 -0.769992
C 3.083965 0.093876 0.594473
C 4.777882 -1.560626 0.682148
C 4.118758 0.696060 1.504369
C 5.237254 -0.373535 1.574264
C 1.833519 0.702705 0.204775
C -2.005661 2.289073 -1.145233
C -3.188980 1.823189 -0.243865
C 0.996911 -0.041045 -0.666502
C -0.679665 1.708763 -0.691506
C 2.106971 -3.250463 -0.124247
C 3.251718 -2.179243 -2.134804
C -3.304968 0.288437 -0.175471
C -0.245440 0.452255 -1.113230
C 1.355709 1.965563 0.600249
C 0.127408 2.477922 0.172500
C -2.282009 1.988127 -2.622546
C -4.665849 -0.167617 0.366256
C -3.059789 2.431014 1.157942
C -4.762099 -1.698461 0.415092
C -6.121758 -2.160065 0.958173
C -6.222572 -3.683147 1.008362
H 4.696957 -2.493890 1.265257
H 5.495219 -1.750896 -0.134402
H 4.482280 1.661232 1.107384
H 3.689881 0.923350 2.497155
H 6.194470 0.036598 1.217201
H 5.399375 -0.703776 2.611856
H -1.945239 3.406459 -1.046590
H -4.123951 2.224397 -0.711727
H -2.488853 -0.123258 0.450606
H -3.146437 -0.140431 -1.185022
H 1.318580 -3.714301 -0.731028
H 2.916253 -3.976594 -0.001643
H 1.676469 -3.054781 0.866324
H 4.098443 -2.869417 -2.072054
H 2.527826 -2.588055 -2.851508
H 3.618314 -1.232978 -2.553319
H -0.840234 -0.162814 -1.782471
H -0.206070 3.454617 0.499462
H -4.827419 0.250907 1.378818
H -5.479458 0.240878 -0.263148
H -2.509785 0.927627 -2.789684
H -1.415341 2.237327 -3.246642
H -3.135147 2.567012 -2.992074
H -3.905808 2.141537 1.791838
H -3.031227 3.524021 1.126317
H -2.147599 2.088183 1.662356
H -3.948013 -2.107408 1.044253
H -4.598604 -2.120287 -0.595038
H -6.283833 -1.741695 1.970769
H -6.936552 -1.752409 0.328523
H 1.773988 3.562667 1.675720
H -6.103827 -4.128123 0.013935
H -7.195190 -4.003388 1.397705
H -5.450916 -4.116978 1.654513


%chk=000215348-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215348

0 1
O 1.337243 -1.505154 -0.778153
O 2.368466 2.890982 1.100944
C 3.552307 -1.164661 0.279361
C 2.792051 -1.939831 -0.778881
C 3.170779 0.083553 0.693774
C 4.800531 -1.653412 0.995089
C 4.118490 0.618189 1.763610
C 5.334699 -0.358190 1.686130
C 1.932286 0.687157 0.192073
C -1.998763 2.146258 -1.225026
C -3.198290 1.755179 -0.278005
C 1.036587 -0.155973 -0.540269
C -0.640553 1.618344 -0.750892
C 2.714717 -3.448239 -0.491696
C 3.353746 -1.652122 -2.192433
C -3.465432 0.228229 -0.194838
C -0.221812 0.287241 -0.994034
C 1.497050 2.021652 0.406846
C 0.242723 2.480975 -0.054671
C -2.287029 1.785503 -2.704530
C -4.799865 -0.146512 0.492999
C -3.019754 2.380478 1.126515
C -5.104703 -1.660447 0.421134
C -6.414895 -2.055954 1.139932
C -6.714796 -3.568497 1.059377
H 4.544425 -2.438845 1.737691
H 5.550142 -2.101980 0.313760
H 4.400498 1.668689 1.589748
H 3.626361 0.588405 2.756851
H 6.122570 0.091664 1.054149
H 5.778328 -0.561074 2.676582
H -1.943950 3.254672 -1.172280
H -4.096802 2.219368 -0.744113
H -2.628775 -0.263362 0.340175
H -3.479359 -0.199634 -1.218052
H 2.079587 -3.940430 -1.248041
H 3.721208 -3.901576 -0.527617
H 2.277308 -3.631457 0.504314
H 4.410702 -1.969447 -2.258382
H 2.770970 -2.199420 -2.954828
H 3.304257 -0.571525 -2.412697
H -0.848831 -0.420516 -1.541868
H -0.052956 3.524159 0.123997
H -4.780898 0.162612 1.557167
H -5.630971 0.416927 0.017357
H -2.332323 0.694810 -2.870815
H -1.497276 2.186887 -3.364799
H -3.256236 2.213052 -3.023724
H -3.917590 2.229251 1.751488
H -2.842353 3.470996 1.056685
H -2.156489 1.930776 1.651120
H -4.259005 -2.225888 0.865688
H -5.161993 -1.974786 -0.642308
H -6.353263 -1.745672 2.203293
H -7.258689 -1.486264 0.699071
H 1.942224 3.777773 1.206486
H -6.814240 -3.897028 0.007453
H -7.653809 -3.825337 1.583772
H -5.898852 -4.158653 1.517921


