%chk=000198399.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198399

0 1
O -0.755250 0.797841 -1.130353
O -0.873670 0.333906 1.136835
O -1.052092 -1.377753 -0.412262
C 1.131983 -0.335843 -0.081897
C -1.385051 -0.016216 -0.142573
C 0.691768 0.678754 -1.162185
C 0.566320 0.181216 1.260565
C 0.372668 -1.650888 -0.391049
C 2.643125 -0.569685 -0.051670
C -2.911840 0.166890 -0.218663
C 3.461907 0.693216 0.250650
C -3.588174 -0.753587 0.795858
C -3.262179 1.636205 0.010184
C 4.958857 0.394183 0.266496
H 1.068499 1.698829 -0.981566
H 0.934416 0.354746 -2.187183
H 0.712707 -0.524222 2.094382
H 0.937764 1.182519 1.533626
H 0.602806 -2.061304 -1.387857
H 0.508758 -2.423013 0.383662
H 2.969454 -0.993500 -1.023772
H 2.880124 -1.348778 0.701890
H -3.214228 -0.133026 -1.256480
H 3.158642 1.120809 1.226820
H 3.248087 1.476814 -0.503024
H -3.311771 -1.802463 0.620103
H -4.678031 -0.673853 0.740746
H -3.282206 -0.508141 1.821865
H -2.755025 2.279632 -0.722087
H -4.339750 1.806095 -0.074514
H -2.944046 1.970654 1.006908
H 5.218165 -0.348647 1.029789
H 5.307665 0.008085 -0.698356
H 5.539499 1.298927 0.483312


%chk=000198399-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198399

0 1
O -0.760129 0.992669 -1.037979
O -0.908472 0.170834 1.203834
O -1.061154 -1.342877 -0.641598
C 1.124415 -0.308142 -0.112761
C -1.405309 0.003134 -0.165249
C 0.665661 0.621609 -1.266853
C 0.574682 0.317463 1.196183
C 0.358104 -1.643807 -0.309117
C 2.652861 -0.544016 -0.085577
C -2.924754 0.185540 -0.210747
C 3.511762 0.669550 0.347706
C -3.623724 -0.814853 0.737701
C -3.315997 1.646340 0.105992
C 5.022288 0.358453 0.281502
H 1.225296 1.572885 -1.288147
H 0.757509 0.113595 -2.247412
H 0.940436 -0.216364 2.092185
H 0.827590 1.392020 1.273581
H 0.759423 -2.220782 -1.161813
H 0.395925 -2.262922 0.609394
H 2.978591 -0.874225 -1.094376
H 2.866889 -1.391371 0.599465
H -3.210525 -0.047407 -1.254788
H 3.244913 0.967677 1.380560
H 3.288695 1.541597 -0.297993
H -3.335579 -1.852930 0.500879
H -4.720356 -0.721279 0.638230
H -3.349943 -0.608275 1.787177
H -2.829113 2.350049 -0.589458
H -4.411295 1.766524 0.021119
H -3.015826 1.910677 1.135551
H 5.282368 -0.491979 0.939621
H 5.328200 0.091610 -0.747616
H 5.626472 1.227405 0.599003


