%chk=000274348.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274348

0 1
O -0.176461 -1.143727 -0.943261
O 0.176842 1.143021 -0.944720
O -3.311437 -0.920171 0.753920
O 3.311498 0.921220 0.753827
O -2.917024 0.374448 -1.060355
O 2.917310 -0.375531 -1.058970
C 0.000047 0.000210 -0.095679
C -1.264652 0.176167 0.760046
C 1.264448 -0.174591 0.760711
C 0.083621 -0.762526 -2.324316
C -0.082844 0.760000 -2.325345
C -2.537401 -0.071035 -0.004587
C 2.537480 0.071329 -0.003862
C -4.631880 -1.292795 0.245950
C 4.632196 1.292875 0.245813
C -5.608477 -0.155678 0.461483
C 5.608416 0.155738 0.462940
H -1.229988 -0.490854 1.651230
H -1.289535 1.220796 1.150111
H 1.229553 0.493791 1.650868
H 1.289097 -1.218626 1.152370
H -0.666144 -1.313965 -2.910584
H 1.113881 -1.094840 -2.554313
H 0.667089 1.310667 -2.912123
H -1.113037 1.092009 -2.556081
H -4.531083 -1.572324 -0.817775
H -4.849129 -2.180563 0.867705
H 4.531782 1.571203 -0.818262
H 4.849517 2.181300 0.866605
H -6.634932 -0.457697 0.222648
H -5.596108 0.196524 1.500640
H -5.361433 0.705993 -0.177337
H 6.635037 0.457228 0.224152
H 5.595577 -0.195328 1.502477
H 5.361376 -0.706567 -0.175026


%chk=000274348-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000274348

0 1
O -0.161695 -1.173171 -1.042539
O 0.161784 1.173836 -1.044579
O -3.388498 -0.950144 0.811813
O 3.389153 0.951554 0.811594
O -2.922562 0.284845 -1.108545
O 2.922284 -0.285317 -1.107322
C -0.000101 0.001110 -0.172599
C -1.257048 0.118467 0.729752
C 1.256503 -0.114659 0.730380
C 0.147425 -0.757926 -2.437012
C -0.146740 0.756089 -2.438445
C -2.570129 -0.146727 0.012105
C 2.570015 0.148152 0.012644
C -4.749317 -1.261724 0.271368
C 4.750601 1.260570 0.271257
C -5.739442 -0.145560 0.616140
C 5.739030 0.143420 0.617703
H -1.179828 -0.577719 1.581216
H -1.279166 1.148581 1.132495
H 1.179311 0.583538 1.580203
H 1.278031 -1.143824 1.135593
H -0.525322 -1.330180 -3.095431
H 1.206746 -0.977153 -2.648810
H 0.526300 1.327155 -3.097595
H -1.205965 0.974971 -2.651103
H -4.666949 -1.403980 -0.820411
H -5.008839 -2.213410 0.761788
H 4.668816 1.401643 -0.820720
H 5.011292 2.212470 0.760638
H -6.754319 -0.431167 0.282246
H -5.771776 0.030184 1.705316
H -5.462377 0.793802 0.109128
H 6.754423 0.427195 0.283814
H 5.770747 -0.031066 1.707100
H 5.460814 -0.796155 0.111719


