$ ELEMENTS                      REFERENCES
$ ---------                       ----------
$ Title: Avoiding Electron Spill-Out in QM/MM Calculations on Excited States with Simple Pseudopotentials
$ Authors: Alireza Marefat Khah, Peter Reinholdt, Jógvan Magnus Haugaard Olsen, Jacob Kongsted, Christof Hattig
$ Publication date: 2020/2/7
$ Journal: Journal of Chemical Theory and Computation
$ Volume: 16
$ Issue: 3
$ Pages: 1373-1381
$ Publisher: American Chemical Society

$ H, fitted from He
a   1
$
   2   1
           1
 2      1.000000000000      0.000000000000
           1
 2      0.509800000000      2.420000000000
           1
 2      0.491650000000     -0.435900000000
$
$ He, fitted from He
a   2
$
   2   2
           1
 2      1.000000000000      0.000000000000
           1
 2      0.509800000000      2.420000000000
           1
 2      0.491650000000     -0.435900000000
$
$ Li, fitted from Ne
a   3
$
   3   3
           1
 2      1.000000000000      0.000000000000
           1
 2      2.047500000000     54.510000000000
           1
 2      0.448150000000      1.465000000000
           1
 2      0.492050000000     -0.838000000000
$
$ Be, fitted from Ne
a   4
$
   3   4
           1
 2      1.000000000000      0.000000000000
           1
 2      2.047500000000     54.510000000000
           1
 2      0.448150000000      1.465000000000
           1
 2      0.492050000000     -0.838000000000
$
$ B, fitted from Ne
a   5
$
   3   5
           1
 2      1.000000000000      0.000000000000
           1
 2      2.047500000000     54.510000000000
           1
 2      0.448150000000      1.465000000000
           1
 2      0.492050000000     -0.838000000000
$
$ C, fitted from Ne
a   6
$
   3   6
           1
 2      1.000000000000      0.000000000000
           1
 2      2.047500000000     54.510000000000
           1
 2      0.448150000000      1.465000000000
           1
 2      0.492050000000     -0.838000000000
$
$ N, fitted from Ne
a   7
$
   3   7
           1
 2      1.000000000000      0.000000000000
           1
 2      2.047500000000     54.510000000000
           1
 2      0.448150000000      1.465000000000
           1
 2      0.492050000000     -0.838000000000
$
$ O, fitted from Ne
a   8
$
   3   8
           1
 2      1.000000000000      0.000000000000
           1
 2      2.047500000000     54.510000000000
           1
 2      0.448150000000      1.465000000000
           1
 2      0.492050000000     -0.838000000000
$
$ F, fitted from Ne
a   9
$
   3   9
           1
 2      1.000000000000      0.000000000000
           1
 2      2.047500000000     54.510000000000
           1
 2      0.448150000000      1.465000000000
           1
 2      0.492050000000     -0.838000000000
$
$ Ne, fitted from Ne
a  10
$
   3  10
           1
 2      1.000000000000      0.000000000000
           1
 2      2.047500000000     54.510000000000
           1
 2      0.448150000000      1.465000000000
           1
 2      0.492050000000     -0.838000000000
$
$ Na, fitted from Ar
a  11
$
   3  11
           1
 2      1.000000000000      0.000000000000
           1
 2      1.641000000000    275.000000000000
           1
 2      0.273300000000      1.900000000000
           1
 2      0.440000000000     -3.400000000000
$
$ Mg, fitted from Ar
a  12
$
   3  12
           1
 2      1.000000000000      0.000000000000
           1
 2      1.641000000000    275.000000000000
           1
 2      0.273300000000      1.900000000000
           1
 2      0.440000000000     -3.400000000000
$
$ Al, fitted from Ar
a  13
$
   3  13
           1
 2      1.000000000000      0.000000000000
           1
 2      1.641000000000    275.000000000000
           1
 2      0.273300000000      1.900000000000
           1
 2      0.440000000000     -3.400000000000
$
$ Si, fitted from Ar
a  14
$
   3  14
           1
 2      1.000000000000      0.000000000000
           1
 2      1.641000000000    275.000000000000
           1
 2      0.273300000000      1.900000000000
           1
 2      0.440000000000     -3.400000000000
$
$ P, fitted from Ar
a  15
$
   3  15
           1
 2      1.000000000000      0.000000000000
           1
 2      1.641000000000    275.000000000000
           1
 2      0.273300000000      1.900000000000
           1
 2      0.440000000000     -3.400000000000
$
$ S, fitted from Ar
a  16
$
   3  16
           1
 2      1.000000000000      0.000000000000
           1
 2      1.641000000000    275.000000000000
           1
 2      0.273300000000      1.900000000000
           1
 2      0.440000000000     -3.400000000000
$
$ Cl, fitted from Ar
a  17
$
   3  17
           1
 2      1.000000000000      0.000000000000
           1
 2      1.641000000000    275.000000000000
           1
 2      0.273300000000      1.900000000000
           1
 2      0.440000000000     -3.400000000000
$
$ Ar, fitted from Ar
a  18
$
   3  18
           1
 2      1.000000000000      0.000000000000
           1
 2      1.641000000000    275.000000000000
           1
 2      0.273300000000      1.900000000000
           1
 2      0.440000000000     -3.400000000000
$
$ END OF ECP
