problem using def2-sv(p) basis
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8:52:15 AM PDT - Tue, Oct 14th 2014
Input file:
start 1ee2s_bp86_def2_sv_p_sp
geometry units angstrom
"82 atoms"
end
basis
O library Def2-SV(P)
H library Def2-SV(P)
C library Def2-SV(P)
P library Def2-SV(P)
Rh library "Stuttgart RSC ECP"
end
ecp
Rh library "Stuttgart RSC ECP"
end
dft
xc becke88 perdew86
iterations 5000
grid nodisk
end
driver
maxiter 6000
end
task dft energy