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quantum_package/data/inputs/O2Cl.md5

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87828da66c0dd2f8557cb0a553e57fc5 O2Cl.ezfio/ao_basis/ao_coef.gz
5d0c115e641ec5553f63ab06b567fcfe O2Cl.ezfio/ao_basis/ao_expo.gz
0ea2960029eecc9a19db10d329a8deac O2Cl.ezfio/ao_basis/ao_nucl.gz
2014-04-07 15:12:03 +02:00
05c099f9ecff73ec414553f6a8dba5d5 O2Cl.ezfio/ao_basis/ao_num
558d8dc1794d8cc171e4bb4b5db40c6c O2Cl.ezfio/ao_basis/ao_power.gz
602d2a6dc1fb9ef35bd059ff95b460ab O2Cl.ezfio/ao_basis/ao_prim_num.gz
9104e54c37d062209b247e0132dbb74b O2Cl.ezfio/bielec_integrals/direct
9104e54c37d062209b247e0132dbb74b O2Cl.ezfio/bielec_integrals/read_ao_integrals
0eaedcd23870922f3fb86e923618ebe9 O2Cl.ezfio/bielec_integrals/threshold_ao
9104e54c37d062209b247e0132dbb74b O2Cl.ezfio/bielec_integrals/write_ao_integrals
2014-04-07 15:12:03 +02:00
3354314be84298bd0a185fee97c87c44 O2Cl.ezfio/electrons/elec_alpha_num
1d091156436c0650218681b0f30a8754 O2Cl.ezfio/electrons/elec_beta_num
35051c5b66035612a9c4b99d419f2810 O2Cl.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf O2Cl.ezfio/ezfio/library
c9d2e4f9d10db875d4396ee02bce67cb O2Cl.ezfio/hartree_fock/n_it_scf_max
872740f77c4607493a0cf5740c3dfddf O2Cl.ezfio/hartree_fock/thresh_scf
6f7c5da25b88779886751b3f1176e1f1 O2Cl.ezfio/mo_basis/mo_coef.gz
2014-04-07 15:12:03 +02:00
4b752f0c6bd89811f15963699a6323a0 O2Cl.ezfio/mo_basis/mo_label
05c099f9ecff73ec414553f6a8dba5d5 O2Cl.ezfio/mo_basis/mo_tot_num
037e240e44b2c2e4bca8d72200cf6a4f O2Cl.ezfio/nuclei/nucl_charge.gz
5e524733f5824994a26559c60c2a39dd O2Cl.ezfio/nuclei/nucl_coord.gz
2014-04-07 15:12:03 +02:00
fc7192d47339d0d2b75886b578c1b041 O2Cl.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b O2Cl.ezfio/output/empty