![]() | Name | Last modified | Size | Description |
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![]() | Parent Directory | - | ||
![]() | 1-h2o-opt.inp | 2025-05-07 22:08 | 724 | |
![]() | 1-h2o-opt.out | 2005-01-07 23:54 | 700K | |
![]() | 1-h2o-opt.xyz | 2005-01-07 23:54 | 20K | |
![]() | 2-h2o-vib.inp | 2025-05-07 22:08 | 703 | |
![]() | 2-h2o-vib.out | 2005-01-07 14:22 | 64K | |
![]() | 3-h2o-pert.inp | 2025-05-07 22:08 | 711 | |
![]() | 3-h2o-pert.out | 2005-01-07 15:01 | 37K | |
![]() | DIPOLE-bomd | 2005-01-13 18:00 | 736K | |
![]() | DIPOLE-cp-200au | 2005-01-13 18:03 | 7.5M | |
![]() | DIPOLE-cp-400au | 2005-01-13 18:10 | 3.5M | |
![]() | ENERGIES-bomd | 2005-01-13 18:00 | 698K | |
![]() | ENERGIES-cp-200au | 2005-01-13 18:04 | 7.1M | |
![]() | ENERGIES-cp-400au | 2005-01-13 18:10 | 3.3M | |
![]() | H_CVB_BLYP.psp | 2025-05-07 22:08 | 1.0K | |
![]() | O_MT_BLYP.psp | 2025-05-07 22:08 | 83K | |
![]() | TRAJEC-bomd.xyz | 2005-01-13 18:01 | 51K | |
![]() | TRAJEC-cp-200.xyz | 2005-01-13 18:03 | 107K | |
![]() | TRAJEC-cp-400au.xyz | 2005-01-13 18:10 | 98K | |
![]() | VIB1.log | 2005-01-07 14:22 | 2.8K | |
![]() | bomd/ | 2005-01-13 17:58 | - | |
![]() | cp-200au/ | 2005-01-13 18:02 | - | |
![]() | cp-400au/ | 2005-01-13 18:10 | - | |
![]() | h2o-bomd.spec | 2005-01-13 18:05 | 22K | |
![]() | h2o-cp-200au.spec | 2005-01-13 18:07 | 46K | |
![]() | h2o-cp-400au.spec | 2005-01-13 18:11 | 43K | |
![]() | h2o-vib.spec | 2005-01-11 11:25 | 141 | |
![]() | mkspec.sh | 2005-01-05 18:52 | 106 | |