%chk=000291006.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291006

0 1
O -2.852844 0.000415 -0.666091
O 2.850709 0.000319 0.678671
O -2.156719 -0.001706 1.504104
O 2.153416 -0.001555 -1.491135
C -6.944149 0.001313 0.162170
C 6.941974 0.001396 -0.149556
C -4.218744 0.000639 -0.304829
C 4.216496 0.000614 0.316319
C -6.248910 1.218038 0.045560
C 6.246467 1.218109 -0.034382
C -6.250099 -1.215757 0.042145
C 6.247589 -1.215714 -0.031946
C -4.872356 1.229688 -0.185728
C 4.869955 1.229716 0.197193
C -4.873555 -1.228100 -0.189170
C 4.871080 -1.228118 0.199649
C -8.419020 0.001725 0.397991
C 8.411708 0.001859 -0.415283
C -1.889865 -0.000834 0.331459
C 1.887367 -0.000785 -0.318220
C -0.566308 -0.000725 -0.347754
C 0.563879 -0.000867 0.361259
H -6.785146 2.161633 0.138578
H 6.782260 2.161702 -0.129941
H -6.787254 -2.159087 0.132512
H 6.784234 -2.159013 -0.125610
H -4.319398 2.161931 -0.275716
H 4.317008 2.161932 0.287555
H -4.321501 -2.160623 -0.281785
H 4.318991 -2.160660 0.291882
H -8.752920 -0.880951 0.960334
H -8.751798 0.882486 0.963997
H -8.966320 0.004052 -0.556909
H 8.913705 -0.880200 0.004758
H 8.610350 0.002407 -1.498215
H 8.913210 0.883815 0.005580
H -0.593017 -0.000542 -1.447271
H 0.590723 -0.001053 1.460727


%chk=000291006-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291006

0 1
O -2.888037 0.000557 -0.765296
O 2.888352 -0.000377 0.786825
O -2.174877 0.000040 1.481364
O 2.172954 -0.000632 -1.458923
C -7.048200 0.001098 0.175235
C 7.046347 0.001218 -0.163200
C -4.278338 0.000711 -0.394884
C 4.277894 0.000127 0.413236
C -6.333384 1.218909 0.031279
C 6.333086 1.218864 -0.010770
C -6.334168 -1.216910 0.029152
C 6.334300 -1.216975 -0.009586
C -4.950673 1.228569 -0.254186
C 4.950477 1.228163 0.275265
C -4.951452 -1.226956 -0.256328
C 4.951685 -1.227369 0.276461
C -8.541837 0.001360 0.451823
C 8.526391 0.001820 -0.505521
C -1.910834 0.000463 0.261215
C 1.910030 -0.000829 -0.238477
C -0.564848 -0.000041 -0.368069
C 0.564413 -0.000450 0.391623
H -6.862784 2.172227 0.145606
H 6.864215 2.172156 -0.116883
H -6.864176 -2.170088 0.141808
H 6.866373 -2.169841 -0.114771
H -4.400871 2.168407 -0.366079
H 4.402373 2.167812 0.396626
H -4.402243 -2.166942 -0.369870
H 4.404512 -2.167442 0.398738
H -8.847981 -0.892775 1.022655
H -8.847139 0.893989 1.025464
H -9.120560 0.003126 -0.492349
H 9.035772 -0.892034 -0.104647
H 8.679053 0.002942 -1.602299
H 9.035450 0.895085 -0.102903
H -0.513332 -0.000023 -1.461872
H 0.513254 -0.000460 1.485442


