%nprocshared=20
%mem=80GB
%chk=coumarin.chk
# opt 6-311++g(2d,2p) geom=connectivity pbe1pbe

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0 1
 C-C_R             -2.85799600    0.42638100    0.00006400
 C-C_R             -1.76143300    1.29276500    0.00017600
 C-C_R             -0.45826100    0.77527900    0.00006700
 C-C_R             -0.25251900   -0.62146600   -0.00019100
 C-C_R             -1.36062700   -1.47771500   -0.00033000
 C-C_R             -2.65798300   -0.95652700   -0.00018400
 H-H_               0.56580000    2.74869800    0.00048000
 H-H_              -3.86341000    0.82713800    0.00018300
 H-H_              -1.92825700    2.36294400    0.00037700
 C-C_R              0.70374800    1.67418500    0.00028300
 H-H_              -1.21477800   -2.55044900   -0.00052300
 H-H_              -3.50891100   -1.62546600   -0.00025100
 C-C_R              2.12579800   -0.29225600    0.00001300
 C-C_R              1.93245300    1.16786900    0.00028700
 H-H_               2.78992400    1.82936600    0.00050000
 O-O_R              1.03865300   -1.18622900   -0.00027200
 O-O_R              3.29641600   -0.75418600    0.00003900

 1 2 1.5 6 1.5 8 1.0
 2 3 1.5 9 1.0
 3 4 1.5 10 1.0
 4 5 1.5 16 1.0
 5 6 1.5 11 1.0
 6 12 1.0
 7 10 1.0
 8
 9
 10 14 2.0
 11
 12
 13 14 1.0 16 1.0 17 2.0
 14 15 1.0
 15
 16
 17