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quantum_package/data/inputs/LiCl.md5

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1ebb9dd5cba58e1480e247ce35570a6b LiCl.ezfio/ao_basis/ao_coef.gz
2717fb8171ab70670bdab8344c758a31 LiCl.ezfio/ao_basis/ao_expo.gz
a2923f7297fe0209c7a9f6a47967b268 LiCl.ezfio/ao_basis/ao_nucl.gz
2014-04-07 15:12:03 +02:00
3684cba18cb251696e3efbe2a411ff51 LiCl.ezfio/ao_basis/ao_num
4c56b403449d1a2e446c6d3e39d9e933 LiCl.ezfio/ao_basis/ao_power.gz
9025812e48d7700f25f1f89e12971209 LiCl.ezfio/ao_basis/ao_prim_num.gz
9104e54c37d062209b247e0132dbb74b LiCl.ezfio/bielec_integrals/direct
9104e54c37d062209b247e0132dbb74b LiCl.ezfio/bielec_integrals/read_ao_integrals
0eaedcd23870922f3fb86e923618ebe9 LiCl.ezfio/bielec_integrals/threshold_ao
9104e54c37d062209b247e0132dbb74b LiCl.ezfio/bielec_integrals/write_ao_integrals
2014-04-07 15:12:03 +02:00
b5e150f8a5f428ced2b7812819cd43b0 LiCl.ezfio/electrons/elec_alpha_num
b5e150f8a5f428ced2b7812819cd43b0 LiCl.ezfio/electrons/elec_beta_num
fe9d6554292588b373eec94d01dea0b2 LiCl.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf LiCl.ezfio/ezfio/library
c9d2e4f9d10db875d4396ee02bce67cb LiCl.ezfio/hartree_fock/n_it_scf_max
872740f77c4607493a0cf5740c3dfddf LiCl.ezfio/hartree_fock/thresh_scf
4038e64212cfbc2bc54609f084df11f5 LiCl.ezfio/mo_basis/mo_coef.gz
2014-04-07 15:12:03 +02:00
4b752f0c6bd89811f15963699a6323a0 LiCl.ezfio/mo_basis/mo_label
3684cba18cb251696e3efbe2a411ff51 LiCl.ezfio/mo_basis/mo_tot_num
851ea930bb92c06d698c9456aec379c1 LiCl.ezfio/nuclei/nucl_charge.gz
a5beb01f0eecd246fd90f74b0baa0b07 LiCl.ezfio/nuclei/nucl_coord.gz
2014-04-07 15:12:03 +02:00
b8d55a162b3e0811e1c93a1c6f157817 LiCl.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b LiCl.ezfio/output/empty