File: H.in

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file content (17 lines) | stat: -rw-r--r-- 926 bytes parent folder | download | duplicates (3)
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 'H'                                        : spsymb
 'hydrogen'                                 : spname
  -1.00000                                  : spzn
   1837.362219                              : spmass
  0.200000E-05    1.4000   36.6488   200    : rminsp, rmt, rmaxsp, nrmt
   1                                        : nstsp
   1   0   1   1.00000    F                 : nsp, lsp, ksp, occsp, spcore
   1                                        : apword
    0.1500   0  F                           : apwe0, apwdm, apwve
   0                                        : nlx
   2                                        : nlorb
   0   2                                    : lorbl, lorbord
    0.1500   0  F                           : lorbe0, lorbdm, lorbve
    0.1500   1  F
   1   2                                    : lorbl, lorbord
    0.1500   0  F                           : lorbe0, lorbdm, lorbve
    0.1500   1  F