%chk=000220109.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220109

0 1
O -0.972742 -0.612085 0.398755
O -1.365911 -0.804913 -1.826196
C 0.969104 0.727983 0.095757
C 0.425925 -0.496736 0.205181
C 0.167978 1.969798 -0.000106
C 2.439361 0.916511 0.041418
C 1.105951 -1.805399 0.237900
C -0.563341 2.236819 -1.168384
C 3.173864 1.081172 1.225116
C 0.155225 2.886378 1.061762
C 3.089296 0.944588 -1.201563
C 1.860438 -2.183181 1.358111
C 0.991876 -2.669801 -0.862083
C -1.302820 3.417237 -1.269429
C 4.556799 1.272486 1.161157
C -0.590608 4.063349 0.953379
C 4.472326 1.135758 -1.255768
C -1.318651 4.331131 -0.210241
C 5.207110 1.299831 -0.076765
C 2.500533 -3.425608 1.374235
C 1.636137 -3.908684 -0.838446
C -1.807604 -0.757769 -0.701982
C 2.389317 -4.287445 0.278260
C -3.215612 -0.843898 -0.253268
C -4.200648 -1.107950 -1.220139
C -3.571605 -0.664102 1.091690
C -5.539633 -1.193746 -0.835613
C -4.914392 -0.751096 1.467910
C -5.895615 -1.015635 0.506645
H -0.553875 1.518850 -1.991266
H 2.668035 1.060996 2.187783
H 0.725643 2.680723 1.965100
H 2.514296 0.816927 -2.117837
H 1.947950 -1.509056 2.208763
H 0.401443 -2.365112 -1.731118
H -1.868580 3.624989 -2.176274
H 5.128740 1.400623 2.078453
H -0.602192 4.774224 1.777664
H 4.978364 1.156581 -2.219689
H -1.896010 5.249454 -0.292198
H 6.283906 1.448602 -0.122962
H 3.087773 -3.721146 2.241818
H 1.551476 -4.579540 -1.691845
H 2.890176 -5.253951 0.293641
H -3.909854 -1.242768 -2.265320
H -2.795430 -0.456869 1.834142
H -6.307001 -1.398691 -1.580844
H -5.195431 -0.611940 2.510945
H -6.942589 -1.082989 0.803448


%chk=000220109-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220109

0 1
O -0.992034 -0.340320 0.368776
O -1.569549 -1.283821 -1.694416
C 1.050558 0.857055 -0.067098
C 0.420962 -0.360255 0.066908
C 0.270491 2.118278 -0.267894
C 2.538702 0.985327 0.030865
C 1.006715 -1.722857 0.052809
C -0.769207 2.194742 -1.235804
C 3.273492 0.321518 1.052458
C 0.587117 3.284858 0.481060
C 3.245719 1.827842 -0.871435
C 0.509846 -2.723064 0.933673
C 2.033911 -2.069554 -0.866778
C -1.481231 3.396426 -1.433657
C 4.671741 0.475918 1.152568
C -0.131908 4.484130 0.289340
C 4.645869 1.977695 -0.775023
C -1.171406 4.545242 -0.668088
C 5.366734 1.300276 0.236210
C 1.045503 -4.027960 0.913512
C 2.567046 -3.373463 -0.885064
C -1.902115 -0.926528 -0.542266
C 2.079289 -4.358683 0.006952
C -3.268033 -1.022343 0.043673
C -4.282363 -1.642581 -0.732353
C -3.573817 -0.510426 1.332033
C -5.590966 -1.755028 -0.221407
C -4.886218 -0.623046 1.837124
C -5.895251 -1.245585 1.064108
H -0.995885 1.317952 -1.852653
H 2.740673 -0.309391 1.771588
H 1.395216 3.244150 1.219926
H 2.691422 2.359899 -1.652558
H -0.289470 -2.469544 1.639001
H 2.397177 -1.317763 -1.574016
H -2.273350 3.438275 -2.189727
H 5.218737 -0.041096 1.949016
H 0.119495 5.369802 0.883838
H 5.173230 2.623386 -1.486253
H -1.726337 5.477556 -0.822156
H 6.453198 1.419686 0.314664
H 0.656682 -4.785644 1.602992
H 3.354169 -3.626589 -1.603911
H 2.493193 -5.373096 -0.011999
H -4.022752 -2.027267 -1.724228
H -2.786461 -0.025465 1.915313
H -6.371940 -2.236414 -0.819676
H -5.124381 -0.225249 2.829453
H -6.913319 -1.332082 1.460298


