1
% RHF EOM CCSD DZ Molecular gradient of lowest excited 1A1 state of H2O
3
label = "EOM CCSD gradient"
7
states_per_irrep = (1 0 0 0)
17
(H -0.107055195862289 0.000000000000000 -1.832806614599657)
18
(O -0.107055195862289 0.000000000000000 0.094714436481352)
19
(H 1.806098405595803 0.000000000000000 0.329620161376194)