1
% UHF EOM CCSD DZ Molecular gradient of lowest 2B1 state of H2O+
3
label = "EOM CCSD gradient"
8
states_per_irrep = (0 0 1 0)
21
(H -0.107055195862289 0.000000000000000 -1.832806614599657)
22
(O -0.107055195862289 0.000000000000000 0.094714436481352)
23
(H 1.806098405595803 0.000000000000000 0.329620161376194)