MANGANESE   K(2)L(8)3S(2)3P(6)4S(2)3D(5), 6S
      CHARGE = 25.000000
      SYMMETRY SPECIES               S     P     D
      NUMBER OF BASIS FUNCTIONS     20    15     9
      NUMBER OF CLOSED SHELLS        4     2     0
      NUMBER OF OPEN SHELLS          0     0     1
      OPEN SHELL OCCUPATION NUMBER   0     0     5
  *** FINAL SCF RESULTS ***
   E = -1157.404894686
  ORBITAL ENERGIES AND EXPANSION COEFFICIENTS
        S                    1S             2S             3S             4S
  BASIS/ORB.ENERGY     -242.4888700    -29.5262170     -3.8806242     -0.2505905
   S   1.6703496D+07      0.0000527     -0.0000161     -0.0000059     -0.0000013
   S   1.8690115D+06      0.0002007     -0.0000614     -0.0000226     -0.0000049
   S   3.3922763D+05      0.0006239     -0.0001911     -0.0000704     -0.0000153
   S   8.1300736D+04      0.0017425     -0.0005349     -0.0001970     -0.0000429
   S   2.3685419D+04      0.0046478     -0.0014326     -0.0005281     -0.0001152
   S   7.9841759D+03      0.0121429     -0.0037724     -0.0013908     -0.0003028
   S   3.0263726D+03      0.0306614     -0.0096711     -0.0035768     -0.0007819
   S   1.2520832D+03      0.0734987     -0.0239377     -0.0088695     -0.0019284
   S   5.4709397D+02      0.1597448     -0.0555700     -0.0208055     -0.0045656
   S   2.4825246D+02      0.2830528     -0.1129559     -0.0428541     -0.0093168
   S   1.1646300D+02      0.3425709     -0.1781535     -0.0703090     -0.0156202
   S   5.5811828D+01      0.2120555     -0.1515363     -0.0624158     -0.0134322
   S   2.5818830D+01      0.0383719      0.1439716      0.0665615      0.0140057
   S   1.2574694D+01     -0.0007349      0.5543673      0.3512377      0.0845202
   S   6.1616307D+00      0.0010021      0.4161343      0.3987954      0.0939752
   S   2.7822694D+00     -0.0004399      0.0610282     -0.2341294     -0.0608959
   S   1.3119202D+00      0.0001433     -0.0004735     -0.7150115     -0.2500138
   S   5.8899907D-01     -0.0000580      0.0012518     -0.3393328     -0.2156474
   S   1.0974191D-01      0.0000099     -0.0000984     -0.0078411      0.6153530
   S   3.9630428D-02     -0.0000040      0.0000413      0.0021158      0.5383739
        P                    2P             3P
  BASIS/ORB.ENERGY      -24.8811370     -2.4893003
   P   4.8651154D+04      0.0000381     -0.0000136
   P   8.3673813D+03      0.0002223     -0.0000798
   P   2.2852910D+03      0.0011356     -0.0004083
   P   7.8635173D+02      0.0051049     -0.0018421
   P   3.1087259D+02      0.0193966     -0.0070642
   P   1.3469393D+02      0.0609988     -0.0226325
   P   6.2347613D+01      0.1518874     -0.0582640
   P   3.0315353D+01      0.2779307     -0.1110371
   P   1.5400319D+01      0.3424719     -0.1450598
   P   8.2292547D+00      0.2369864     -0.0827353
   P   4.6458324D+00      0.0831312      0.0956998
   P   2.5983347D+00      0.0153381      0.3040468
   P   2.8611961D-01      0.0000044      0.0507142
   P   6.6928457D-01      0.0004670      0.2848719
   P   1.3704745D+00      0.0009170      0.4277392
        D                    3D
  BASIS/ORB.ENERGY       -0.6256591
   D   2.0113773D+02      0.0009339
   D   5.9697767D+01      0.0077492
   D   2.2712206D+01      0.0345769
   D   9.5508116D+00      0.1052406
   D   4.2791942D+00      0.2245933
   D   1.9492770D+00      0.3259549
   D   8.7236600D-01      0.3400561
   D   3.7511423D-01      0.2363987
   D   1.4742170D-01      0.0762480