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quantum_package/data/inputs/H3COH.md5

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1ae31a42f30949114b29ccb0d8d2aff0 H3COH.ezfio/ao_basis/ao_coef.gz
4612a6663a387d3048893775d26338e1 H3COH.ezfio/ao_basis/ao_expo.gz
538a936d7f85d24cc5c4099c9e69df44 H3COH.ezfio/ao_basis/ao_nucl.gz
2014-04-07 15:12:03 +02:00
f5e60ae18b7c53706d84e2d455c3d355 H3COH.ezfio/ao_basis/ao_num
b1f8b747e6c6ce2874e592b69f9ec3a2 H3COH.ezfio/ao_basis/ao_power.gz
d1b93890d44ddd1de7facfcdc99c86ff H3COH.ezfio/ao_basis/ao_prim_num.gz
9104e54c37d062209b247e0132dbb74b H3COH.ezfio/bielec_integrals/direct
9104e54c37d062209b247e0132dbb74b H3COH.ezfio/bielec_integrals/read_ao_integrals
0eaedcd23870922f3fb86e923618ebe9 H3COH.ezfio/bielec_integrals/threshold_ao
9104e54c37d062209b247e0132dbb74b H3COH.ezfio/bielec_integrals/write_ao_integrals
2014-04-07 15:12:03 +02:00
6ddd54f604d3a6c6e28eebd0b6e08ddc H3COH.ezfio/electrons/elec_alpha_num
6ddd54f604d3a6c6e28eebd0b6e08ddc H3COH.ezfio/electrons/elec_beta_num
795cad23d8b99374b24ab79bbbfdce5e H3COH.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf H3COH.ezfio/ezfio/library
c9d2e4f9d10db875d4396ee02bce67cb H3COH.ezfio/hartree_fock/n_it_scf_max
872740f77c4607493a0cf5740c3dfddf H3COH.ezfio/hartree_fock/thresh_scf
07f2480b8acf6048b2594c8f7760f51f H3COH.ezfio/mo_basis/mo_coef.gz
2014-04-07 15:12:03 +02:00
4b752f0c6bd89811f15963699a6323a0 H3COH.ezfio/mo_basis/mo_label
f5e60ae18b7c53706d84e2d455c3d355 H3COH.ezfio/mo_basis/mo_tot_num
ffe0f28c91c377faa827e3211a21c160 H3COH.ezfio/nuclei/nucl_charge.gz
3acdf052819249574000de87b9ed69fa H3COH.ezfio/nuclei/nucl_coord.gz
2014-04-07 15:12:03 +02:00
503018260a2f6fc8557fcf29300fa8bb H3COH.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b H3COH.ezfio/output/empty