1.ATOM      Fe1                   5 CORE STATES
:1S 001: 1S                -513.385038308 Ry
:2S 001: 2S                 -59.310387358 Ry
:2PP001: 2P*                -51.012498470 Ry
:2P 001: 2P                 -50.095084112 Ry
:3S 001: 3S                  -5.978691442 Ry

        2.ATOM      As1                   7 CORE STATES
       CORE-FORCE in mRy/a.u. = |F|      Fx             Fy             Fz
:FCO002:   2.ATOM        618.028          0.000          0.000       -618.028

:1S 002: 1S                -860.212003716 Ry
:2S 002: 2S                -108.345172529 Ry
:2PP002: 2P*                -96.701621904 Ry
:2P 002: 2P                 -94.014351167 Ry
:3S 002: 3S                 -13.102587481 Ry
:3PP002: 3P*                 -9.191564487 Ry
:3P 002: 3P                  -8.822528186 Ry

        3.ATOM      Ca1                   4 CORE STATES
       CORE-FORCE in mRy/a.u. = |F|      Fx             Fy             Fz
:FCO003:   3.ATOM         97.411          0.000          0.000         97.411

:1S 003: 1S                -289.310757390 Ry
:2S 003: 2S                 -29.514799088 Ry
:2PP003: 2P*                -23.843444827 Ry
:2P 003: 2P                 -23.572409180 Ry

        4.ATOM      F 1                   1 CORE STATES
:1S 004: 1S                 -47.777403531 Ry