Rhenium (II, 4d frozen)
 
BASIS
1S   53.000
2S   33.450
3S   19.400
4S   11.950
2P   37.450
3P   16.750
4P   11.750
3D   20.250
4D   10.650

5S    6.200
5S    4.100
6S    2.650
6S    1.450
5P    5.350
5P    3.300
5D    3.750
5D    1.690
4F   14.200
4F    7.500
4F    3.850
6P    1.850
END
 
CORE    4  3  2  0
        1S  699.000
        1S  170.200
        1S   82.000
        2S   91.500
        2S   35.750
        3S   45.600
        3S   19.300
        4S   11.800
        4S    8.300
        5S    6.200
        5S    4.100
        6S    2.950
        6S    1.850
        6S    1.170
        2P   60.500
        2P   34.300
        3P   19.550
        3P   14.550
        4P   12.450
        4P    8.400
        5P    5.350
        5P    3.300
        3D   26.200
        3D   16.650
        4D   11.250
        4D    7.000
        5D    4.300
        5D    2.400
        5D    1.310
END
 
DESCRIPTION
    .19409139107550345965E-01   .12670498782608075050E+00
    .88914739389167340988E+00   .80848420117615943728E-03
   -.14108698117454049337E-01   .12607105130824856551E-01
    .48567325007989949363E-03  -.35497588880688870630E-03
    .32384249615164713157E-03  -.18235448127934701917E-03
    .10049589236711968434E-03  -.46162124983513037088E-04
    .21348997558379138618E-04  -.73150042432621089342E-05

   -.65059728308488025753E-02  -.49950693075592689230E-01
   -.28209041240640886361E+00  -.87175728908453417598E-01
    .98043005871498478676E+00   .11681356385479906013E+00
    .35429055974459241693E-02   .77410564204240435177E-03
   -.15399105335614712842E-02   .12618708132932246555E-02
   -.81539798431540483174E-03   .40734869245081752791E-03
   -.19621578492551791108E-03   .68371989959764133821E-04

    .31637026011626535188E-02   .13352774296591898157E-01
    .15970492142222122989E+00  -.93548982099297649240E-02
   -.28681723968840872052E+00  -.39450834848764892993E+00
    .11899170643541951975E+01  -.69107932991786212573E-02
    .79223693519737629215E-02  -.33097816571050287307E-02
    .13590655125656435874E-02  -.48731711582027993114E-03
    .19211408067252357676E-03  -.60997068868078888548E-04

   -.16517728798302795147E-02  -.15058807275840717897E-02
   -.94589480175615817115E-01   .30680819439497814677E-01
    .46168053896515723333E-01   .32519443260094843540E+00
   -.86377963314127703676E+00   .10365891140416112481E+01
    .23258152293815378964E+00  -.78267948016616309403E-02
    .40802442972721914699E-02  -.23166045143938776389E-02
    .12252892377813497972E-02  -.44676511670642106650E-03

    .15667315362583916771E+00   .86670428958387846219E+00
    .76812020914263775748E-02  -.12317034578108289680E-01
    .99547209788724347335E-02  -.45458985263564580248E-02
    .14402700736680078969E-02  -.53663004671470097232E-03

   -.58325965466229978684E-01  -.50756389434965398788E+00
    .96395106112806627774E+00   .22576993792791361093E+00
   -.47441502847035348089E-01   .18339373603264267493E-01
   -.56351454643225962551E-02   .21010536418316406483E-02

    .24862901244022333341E-01   .26145698082128715489E+00
   -.50627671133726270813E+00  -.41713047950115261786E+00
    .90538842918230422185E+00   .49900990021300306587E+00
    .68287963892113799635E-02  -.22127883221909759766E-02

    .38297658859319050340E+00   .65967263860084346394E+00
   -.59334223243982207874E-02   .43746098328102172789E-02
   -.13601329169323323701E-02   .60256903583261786205E-03
   -.20612466305726951103E-03

   -.19929087246743679152E+00  -.32762418632056106160E+00
    .73328297587963064963E+00   .45140415320492732754E+00
   -.41513903134008465351E-02   .31335993731857751839E-02
   -.11228472575390449455E-02

0/
END
 
FIT
 1S 106.00
 1S  65.68
 2S  75.24
 2S  51.97
 3S  52.61
 3S  38.49
 4S  37.19
 4S  28.24
 5S  26.68
 5S  20.80
 6S  19.41
 6S  15.44
 7S  14.31
 7S  11.56
 8S  10.67
 8S   8.73
 9S   8.04
 9S   6.65
10S   6.12
10S   5.11
10S   4.27
11S   3.92
11S   3.30
11S   2.78
11S   2.34
 2P  90.45
 3P  76.87
 4P  63.96
 5P  52.92
 5P  36.36
 6P  30.08
 6P  21.30
 7P  17.66
 7P  12.81
 8P  10.65
 8P   7.88
 9P   6.58
 9P   4.95
10P   4.14
10P   3.16
 3D  74.90
 4D  55.54
 5D  41.46
 6D  31.22
 7D  23.73
 7D  15.83
 8D  12.14
 8D   8.30
 9D   6.42
 9D   4.48
10D   3.49
10D   2.48
 4F  59.60
 5F  39.66
 6F  26.90
 7F  18.56
 8F  13.00
 8F   8.14
 9F   5.78
 9F   3.71
 5G  44.05
 6G  27.41
 7G  17.46
 8G  11.35
 8G   6.60
 9G   4.37
 9G   2.62
END
 
FITCOEFFICIENTS
   .954035868518678399E+03  -.561397982964212929E+03  -.981287219112221792E+05
   .949458593535933178E+05  -.976347627299384912E+06  -.187342767010147276E+06
   .574620512070957222E+06   .126090300450579263E+07  -.808469236546797492E+07
   .128456791748645320E+07   .197138844077526545E+07  -.934826190836561291E+05
   .141928922972238361E+06   .143732994695196376E+05   .150442695470212457E+05
   .289479018458913333E+04   .429870022953143348E+03   .566477379008933184E+02
  -.108472781556173836E+01   .142114279916490260E+01   .394592352651966655E-01
   .703232358866585049E-02   .312784035529379873E-03   .145658918038967366E-04
   .292578910482869720E-06
/
END