%chk=000227802.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227802

0 1
O 5.098536 -1.197765 -0.407509
O 3.295433 -2.178530 0.504373
O 6.687083 0.215528 -1.137714
C -3.848825 -0.025881 0.301889
C -2.688526 0.826848 -0.229115
C -5.175263 0.351187 -0.371577
C -1.364241 0.448384 0.446526
C -6.335006 -0.501991 0.159183
C -0.201473 1.299996 -0.086325
C 3.503400 0.310253 0.571534
C -7.663061 -0.126529 -0.513349
C 1.089928 0.928663 0.575875
C 4.705074 1.109085 0.040655
C 2.213719 0.673774 -0.101969
C 3.850276 -1.152235 0.267925
C -8.820686 -0.973086 0.011189
C 5.641105 0.097026 -0.577308
H -3.634758 -1.099559 0.134765
H -3.936388 0.095990 1.398803
H -2.904897 1.900030 -0.064378
H -2.602804 0.701008 -1.326039
H -5.089257 0.227402 -1.468461
H -5.391052 1.424170 -0.205224
H -1.452875 0.568710 1.543580
H -1.146558 -0.625266 0.277174
H -6.423201 -0.380652 1.255890
H -6.121655 -1.575506 -0.007110
H -0.404793 2.377590 0.096231
H -0.138152 1.195963 -1.189209
H 3.420810 0.423217 1.682841
H -7.577423 -0.250375 -1.610724
H -7.879638 0.946728 -0.346235
H 1.049339 0.883004 1.666990
H 5.219122 1.677192 0.841506
H 4.411110 1.874942 -0.707550
H 2.254307 0.704927 -1.191328
H -8.655728 -2.040911 -0.172566
H -9.763767 -0.698958 -0.474710
H -8.958515 -0.844573 1.090770


%chk=000227802-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227802

0 1
O 5.369166 -1.268418 -0.093140
O 3.261250 -2.224204 0.222403
O 7.123554 0.250131 -0.360139
C -3.879365 -0.019084 0.263028
C -2.722629 0.880231 -0.227841
C -5.251485 0.374259 -0.329694
C -1.351904 0.482529 0.363697
C -6.409936 -0.523998 0.159426
C -0.197421 1.393435 -0.137503
C 3.551047 0.266691 0.448614
C -7.781383 -0.131926 -0.436713
C 1.132799 1.037032 0.484263
C 4.784004 1.074924 -0.030372
C 2.235242 0.639297 -0.199963
C 3.948941 -1.204886 0.192145
C -8.933575 -1.034233 0.055584
C 5.919537 0.065671 -0.176302
H -3.657710 -1.075419 0.004238
H -3.933291 0.024006 1.371047
H -2.942891 1.937024 0.032609
H -2.670382 0.837448 -1.335845
H -5.197611 0.330669 -1.437819
H -5.473475 1.431104 -0.071253
H -1.401653 0.528574 1.471331
H -1.121790 -0.569622 0.104023
H -6.467535 -0.479978 1.267355
H -6.188983 -1.581276 -0.097522
H -0.452605 2.445791 0.109955
H -0.128576 1.331751 -1.241055
H 3.443662 0.358628 1.547784
H -7.722525 -0.175934 -1.543581
H -8.001280 0.924582 -0.179567
H 1.180567 1.088992 1.584913
H 5.082711 1.882983 0.655636
H 4.604005 1.537953 -1.018346
H 2.199865 0.564344 -1.297167
H -8.752347 -2.091426 -0.216057
H -9.901834 -0.733410 -0.385306
H -9.033465 -0.984435 1.156434


