title "h2o_dimer_ccsdt_cc_pvdz"
echo
start h2o_dimer_ccsdt_cc_pvdz

permanent_dir /dtemp/kowalski

memory stack 900 mb heap 100 mb global 1100 mb noverify

geometry units angstrom
O    0.0000000   0.00000000  0.00000000
O   -0.2953673   0.00000000  2.90144000
H    0.0000000   0.00000000  0.97287010
H    0.9351134   0.00000000 -0.23780130
H   -0.8267692  -0.76271270  3.16656200
H   -0.8267692   0.76271270  3.16656200
end

basis spherical
* library cc-pvdz
end

scf
thresh 1.0e-10
tol2e 1.0e-10
singlet
rhf
end

tce
freeze atomic
ccsdt
maxiter 100
tilesize 10
diis 3
thresh 1.0d-2
2eorb
2emet 13
attilesize 40 
end

task tce energy


