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quantum_package/data/inputs/SH3+.md5

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ca2184d3925611e99a0715811f46b7e9 SH3+.ezfio/ao_basis/ao_coef.gz
5b69c1b2b2f66a611414a1bc80fdb2cc SH3+.ezfio/ao_basis/ao_expo.gz
92f62af7fc521856ac32860383c06ebf SH3+.ezfio/ao_basis/ao_nucl.gz
2014-04-07 15:12:03 +02:00
3684cba18cb251696e3efbe2a411ff51 SH3+.ezfio/ao_basis/ao_num
4fb536670f3f3cbcb97d32fb67e1598e SH3+.ezfio/ao_basis/ao_power.gz
db5dd19cd140dd9d35bc82be57a53be8 SH3+.ezfio/ao_basis/ao_prim_num.gz
9104e54c37d062209b247e0132dbb74b SH3+.ezfio/bielec_integrals/direct
9104e54c37d062209b247e0132dbb74b SH3+.ezfio/bielec_integrals/read_ao_integrals
0eaedcd23870922f3fb86e923618ebe9 SH3+.ezfio/bielec_integrals/threshold_ao
9104e54c37d062209b247e0132dbb74b SH3+.ezfio/bielec_integrals/write_ao_integrals
2014-04-07 15:12:03 +02:00
6ddd54f604d3a6c6e28eebd0b6e08ddc SH3+.ezfio/electrons/elec_alpha_num
6ddd54f604d3a6c6e28eebd0b6e08ddc SH3+.ezfio/electrons/elec_beta_num
81cf76e642d289c65baca4364a332d08 SH3+.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf SH3+.ezfio/ezfio/library
c9d2e4f9d10db875d4396ee02bce67cb SH3+.ezfio/hartree_fock/n_it_scf_max
872740f77c4607493a0cf5740c3dfddf SH3+.ezfio/hartree_fock/thresh_scf
91b4a3656570f5b89637895643c1c748 SH3+.ezfio/mo_basis/mo_coef.gz
2014-04-07 15:12:03 +02:00
4b752f0c6bd89811f15963699a6323a0 SH3+.ezfio/mo_basis/mo_label
3684cba18cb251696e3efbe2a411ff51 SH3+.ezfio/mo_basis/mo_tot_num
426b777434a0d747c62bbd80be27fd3a SH3+.ezfio/nuclei/nucl_charge.gz
8300769cdaac3d02e1944415ae768ab3 SH3+.ezfio/nuclei/nucl_coord.gz
2014-04-07 15:12:03 +02:00
a5ae057cdae95f3930403204a9c9cbe2 SH3+.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b SH3+.ezfio/output/empty