Unique to diatomic hydrogen.
Fails with direct CCSD(T), reports Out Of Memory error irrespective of generous allocation.
Succeeds using TCE.
Succeeds using 6-31G** or larger Pople basis set.
Test script reproduces failure:
start H2
#memory 10 gb
print all
title "H2"
charge 0
geometry units angstroms print xyz
symmetry C1
H -0.372 0.0 0.0
H 0.372 0.0 0.0
end
basis
H library 6-31G**
end
#succeeds
task ccsd(t) energy
unset "basis:*"
basis
H library 6-31G*
end
# FAILS
task ccsd(t) energy
-drh
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