%chk=000228537.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228537

0 1
O 4.360773 1.037274 1.545871
O -4.350284 1.059296 -1.583252
C -0.022641 -2.271562 0.035567
C 1.147691 -1.398283 0.494880
C -1.178383 -1.394338 -0.452333
C -0.589988 -3.143621 1.174421
C 0.529791 -3.189668 -1.074056
C 1.523548 -0.293040 -0.295602
C -1.535733 -0.258004 0.301838
C 2.594225 0.529897 0.050225
C -2.592519 0.571065 -0.070975
C 2.990808 1.730284 -0.783823
C -2.968930 1.804318 0.723532
C 1.883454 -1.690748 1.646372
C -1.918945 -1.711607 -1.594109
C 3.306258 0.205292 1.227444
C -3.309856 0.220507 -1.237501
C 2.968091 -0.890786 2.025070
C -2.990082 -0.906297 -1.999057
C 1.851997 2.757850 -0.816404
C 3.392386 1.295765 -2.199210
C -1.813774 2.814012 0.721456
C -3.375617 1.423077 2.152741
H 0.137161 -3.882582 1.524674
H -0.896128 -2.533634 2.031507
H -1.476690 -3.693567 0.837662
H 1.407267 -3.743076 -0.719265
H -0.209686 -3.927410 -1.400219
H 0.845910 -2.613147 -1.950465
H 0.956010 -0.068117 -1.202089
H -0.964504 -0.013418 1.200883
H 3.883785 2.216450 -0.304229
H -3.854641 2.288680 0.228879
H 1.627203 -2.548023 2.268153
H -1.677102 -2.592719 -2.187690
H 3.531750 -1.123882 2.921885
H -3.557555 -1.158857 -2.888164
H 0.951204 2.356476 -1.293746
H 2.146502 3.655218 -1.370095
H 1.573776 3.068162 0.197250
H 4.187576 0.542190 -2.167835
H 3.762875 2.145972 -2.781329
H 2.550485 0.862858 -2.749338
H -0.918873 2.414041 1.210909
H -2.093106 3.733633 1.245707
H -1.532027 3.086462 -0.302060
H -4.182432 0.681322 2.146778
H -3.732231 2.297713 2.706656
H -2.539926 0.995576 2.716399
H 4.813748 0.751371 2.374365
H -4.808020 0.754323 -2.402281


%chk=000228537-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228537

0 1
O 4.411332 1.020952 1.669412
O -4.415192 1.019545 -1.690477
C -0.016737 -2.351481 0.029855
C 1.147181 -1.461642 0.535943
C -1.171698 -1.463097 -0.498926
C -0.599959 -3.252114 1.159634
C 0.556246 -3.287686 -1.076029
C 1.627940 -0.412761 -0.294909
C -1.637106 -0.384725 0.302391
C 2.706594 0.424752 0.060651
C -2.708224 0.453691 -0.073089
C 3.183292 1.591742 -0.806625
C -3.168475 1.651063 0.761147
C 1.798381 -1.672464 1.772729
C -1.830943 -1.703205 -1.726076
C 3.332461 0.177223 1.315483
C -3.343144 0.175615 -1.316971
C 2.887483 -0.859072 2.161779
C -2.913208 -0.889943 -2.134134
C 2.589712 2.926373 -0.268495
C 2.865182 1.422946 -2.309331
C -2.573103 2.963954 0.173686
C -2.833903 1.529713 2.264745
H 0.148181 -3.979925 1.525403
H -0.954220 -2.650618 2.015864
H -1.461976 -3.821247 0.768968
H 1.413139 -3.854704 -0.671337
H -0.199759 -4.017504 -1.420841
H 0.914862 -2.712986 -1.948698
H 1.122444 -0.237202 -1.251071
H -1.125597 -0.186342 1.250829
H 4.282554 1.657413 -0.689218
H -4.268658 1.719789 0.653984
H 1.467646 -2.464494 2.451220
H -1.512254 -2.518641 -2.382358
H 3.383700 -1.033755 3.126402
H -3.415971 -1.088039 -3.090811
H 1.485432 2.916275 -0.341176
H 2.966848 3.783561 -0.857357
H 2.869749 3.083176 0.787459
H 3.248295 0.463250 -2.702174
H 3.332546 2.241879 -2.886509
H 1.776987 1.464756 -2.503669
H -1.468240 2.949786 0.236466
H -2.939874 3.841990 0.737941
H -2.862623 3.087833 -0.884029
H -3.219513 0.586739 2.694023
H -3.288123 2.371091 2.819678
H -1.743120 1.569337 2.444539
H 4.794763 0.742852 2.537674
H -4.806725 0.719048 -2.547595


