ACTINIUM [RN]7S(2)6D(1), 2D
CHARGE = 89.000000
SYMMETRY SPECIES S P D F
NUMBER OF BASIS FUNCTIONS 35 26 18 13
NUMBER OF CLOSED SHELLS 7 5 3 1
NUMBER OF OPEN SHELLS 0 0 1 0
OPEN SHELL OCCUPATION NUMBER 0 0 1 0
*** FINAL SCF RESULTS ***
E =-25719.991753641
ORBITAL ENERGIES AND EXPANSION COEFFICIENTS
S 1S 2S 3S 4S 5S 6S 7S
BASIS/ORB.ENERGY -3952.2653000 -735.7792100 -186.4873300 -47.9756450 -10.8008910 -1.8523824 -0.1892183
S 3.2665313D+12 0.0000014 -0.0000006 0.0000003 0.0000001 -0.0000001 0.0000000 0.0000000
S 3.1047682D+11 0.0000055 -0.0000023 0.0000011 0.0000006 -0.0000003 0.0000001 0.0000000
S 4.8590502D+10 0.0000164 -0.0000068 0.0000033 0.0000017 -0.0000008 0.0000004 -0.0000001
S 1.0009456D+10 0.0000410 -0.0000169 0.0000082 0.0000042 -0.0000021 0.0000009 -0.0000003
S 2.5031167D+09 0.0000911 -0.0000374 0.0000182 0.0000094 -0.0000045 0.0000020 -0.0000006
S 7.2698514D+08 0.0001827 -0.0000749 0.0000365 0.0000188 -0.0000091 0.0000039 -0.0000012
S 2.4149867D+08 0.0003357 -0.0001375 0.0000669 0.0000345 -0.0000167 0.0000072 -0.0000023
S 8.6685553D+07 0.0006319 -0.0002587 0.0001258 0.0000648 -0.0000314 0.0000136 -0.0000043
S 3.0891912D+07 0.0012584 -0.0005149 0.0002505 0.0001290 -0.0000624 0.0000271 -0.0000085
S 1.0737389D+07 0.0025083 -0.0010267 0.0004994 0.0002572 -0.0001245 0.0000539 -0.0000170
S 3.7214073D+06 0.0048835 -0.0020021 0.0009742 0.0005018 -0.0002428 0.0001052 -0.0000332
S 1.3137610D+06 0.0092614 -0.0038105 0.0018553 0.0009558 -0.0004625 0.0002004 -0.0000632
S 4.7991151D+05 0.0169362 -0.0070154 0.0034197 0.0017624 -0.0008529 0.0003697 -0.0001166
S 1.8467397D+05 0.0296561 -0.0124245 0.0060684 0.0031286 -0.0015141 0.0006560 -0.0002070
S 7.5418850D+04 0.0499867 -0.0213235 0.0104472 0.0053916 -0.0026103 0.0011318 -0.0003569
S 3.2766976D+04 0.0806384 -0.0353581 0.0174084 0.0089914 -0.0043531 0.0018852 -0.0005951
S 1.5100789D+04 0.1249617 -0.0571165 0.0283259 0.0146677 -0.0071092 0.0030862 -0.0009723
S 7.2573820D+03 0.1857919 -0.0903829 0.0453549 0.0235277 -0.0114000 0.0049303 -0.0015585
S 3.5801131D+03 0.2482841 -0.1325912 0.0677008 0.0353453 -0.0171777 0.0074804 -0.0023525
S 1.8042895D+03 0.2618302 -0.1554262 0.0811625 0.0424629 -0.0205969 0.0088620 -0.0028128
S 9.2328621D+02 0.1754478 -0.0795608 0.0373751 0.0192279 -0.0093794 0.0042272 -0.0012976
S 4.7079868D+02 0.0488640 0.2038718 -0.1623411 -0.0950839 0.0477896 -0.0212440 0.0066331
S 2.4304564D+02 0.0013197 0.5184306 -0.4992652 -0.3060002 0.1545888 -0.0668502 0.0212957
S 1.2653269D+02 0.0009081 0.3669525 -0.4284116 -0.2893183 0.1527018 -0.0695706 0.0216078
S 7.0381385D+01 -0.0007350 0.0577824 0.3624785 0.3593437 -0.2109103 0.1001104 -0.0309325
S 3.9224859D+01 0.0004738 0.0111144 0.7636947 0.9870763 -0.6054938 0.2684442 -0.0870959
S 2.1170375D+01 -0.0003482 -0.0055664 0.2959969 0.2659516 -0.1658658 0.0969942 -0.0279255
S 1.2273438D+01 0.0002395 0.0035417 0.0038637 -0.8901962 0.8793015 -0.4866304 0.1530741
S 6.8079979D+00 -0.0001131 -0.0018203 0.0088917 -0.6457881 0.9305900 -0.4943529 0.1700713
S 3.2109168D+00 0.0000494 0.0008110 -0.0032883 -0.0672295 -0.7877790 0.5806764 -0.2127178
S 1.6364770D+00 -0.0000255 -0.0004029 0.0014564 0.0062614 -0.8320291 1.0396511 -0.3796275
S 7.5968413D-01 0.0000097 0.0001566 -0.0005793 -0.0021529 -0.0579962 -0.5492854 0.2338624
S 3.1751340D-01 -0.0000029 -0.0000473 0.0001793 0.0006396 -0.0029118 -0.9771434 0.6875310
S 7.4446062D-02 0.0000008 0.0000127 -0.0000468 -0.0001460 0.0008275 -0.0557040 -0.4130248
S 3.0673697D-02 -0.0000003 -0.0000052 0.0000192 0.0000598 -0.0003599 0.0124589 -0.8168808
P 2P 3P 4P 5P 6P
BASIS/ORB.ENERGY -621.4468000 -153.9391300 -37.1236160 -7.4096774 -0.9534382
P 4.6486755D+08 0.0000053 -0.0000028 -0.0000014 -0.0000007 0.0000003
P 7.1405815D+07 0.0000160 -0.0000084 -0.0000043 -0.0000020 0.0000008
P 1.4639391D+07 0.0000448 -0.0000235 -0.0000121 -0.0000056 0.0000022
P 3.6356151D+06 0.0001120 -0.0000589 -0.0000304 -0.0000142 0.0000055
P 1.0437547D+06 0.0002678 -0.0001411 -0.0000729 -0.0000339 0.0000133
P 3.3241273D+05 0.0006338 -0.0003348 -0.0001730 -0.0000805 0.0000315
P 1.1520230D+05 0.0014898 -0.0007898 -0.0004085 -0.0001901 0.0000744
P 4.3375379D+04 0.0035084 -0.0018692 -0.0009679 -0.0004508 0.0001765
P 1.7538207D+04 0.0083697 -0.0044924 -0.0023303 -0.0010846 0.0004249
P 7.5630690D+03 0.0200360 -0.0108674 -0.0056528 -0.0026371 0.0010325
P 3.4460589D+03 0.0473874 -0.0261472 -0.0136558 -0.0063633 0.0024941
P 1.6501671D+03 0.1047881 -0.0593448 -0.0312105 -0.0146100 0.0057220
P 8.2612660D+02 0.2021295 -0.1188625 -0.0630956 -0.0294932 0.0115741
P 4.2779024D+02 0.3085276 -0.1888128 -0.1014805 -0.0478614 0.0187517
P 2.2745755D+02 0.3125104 -0.1734100 -0.0891236 -0.0409376 0.0160806
P 1.2321108D+02 0.1667739 0.0705233 0.0751820 0.0393407 -0.0159902
P 6.7169512D+01 0.0323403 0.4450892 0.3771126 0.2006284 -0.0802737
P 3.7201660D+01 0.0010610 0.4525192 0.3724988 0.1864566 -0.0749388
P 2.0374766D+01 0.0000099 0.1498906 -0.2309253 -0.1810342 0.0797719
P 1.0986474D+01 -0.0001096 0.0108478 -0.6680157 -0.5728567 0.2527668
P 5.9045407D+00 0.0000104 0.0009138 -0.3231655 -0.1554150 0.0569328
P 2.9978014D+00 0.0000033 -0.0004232 -0.0325316 0.6607873 -0.4181718
P 1.5054802D+00 0.0000046 0.0000980 -0.0001520 0.5385922 -0.3565942
P 6.4793753D-01 -0.0000005 -0.0000571 -0.0000468 0.0698988 0.4194263
P 3.0104212D-01 0.0000003 0.0000258 0.0000546 -0.0041462 0.6586134
P 1.2294138D-01 -0.0000001 -0.0000067 -0.0000145 0.0008517 0.1754923
D 3D 4D 5D 6D
BASIS/ORB.ENERGY -122.3852600 -25.0684910 -3.4137507 -0.1751691
D 4.3754266D+04 0.0000650 0.0000358 0.0000151 -0.0000037
D 1.0733782D+04 0.0004275 0.0002359 0.0000996 -0.0000244
D 3.5991889D+03 0.0023014 0.0012737 0.0005366 -0.0001316
D 1.4321884D+03 0.0102284 0.0057032 0.0024126 -0.0005908
D 6.4912279D+02 0.0359193 0.0202077 0.0085421 -0.0020966
D 3.2083103D+02 0.1002981 0.0574621 0.0244626 -0.0059942
D 1.6835195D+02 0.2125889 0.1229013 0.0522114 -0.0128315
D 9.1624706D+01 0.3272545 0.1845573 0.0785043 -0.0192043
D 5.0769999D+01 0.3258854 0.1348187 0.0499457 -0.0121072
D 2.7945017D+01 0.1683910 -0.1468595 -0.0919235 0.0238031
D 1.5001727D+01 0.0329443 -0.4557626 -0.2560377 0.0647772
D 8.0084638D+00 0.0013330 -0.4074852 -0.1862905 0.0458833
D 4.1601846D+00 0.0002758 -0.1259103 0.2393005 -0.0766403
D 2.1101549D+00 -0.0000844 -0.0076068 0.5405593 -0.1674237
D 1.0277232D+00 0.0000351 -0.0005050 0.3496881 -0.0802428
D 4.5352361D-01 -0.0000101 0.0002784 0.0626752 0.2588903
D 1.6806913D-01 0.0000039 -0.0000620 -0.0002239 0.5580699
D 5.5246265D-02 -0.0000010 0.0000202 0.0004469 0.4068753
F 4F
BASIS/ORB.ENERGY -12.2708190
F 1.8553256D+03 0.0001875
F 6.2529707D+02 0.0017260
F 2.6477914D+02 0.0100559
F 1.2639122D+02 0.0399584
F 6.4345001D+01 0.1122806
F 3.4315438D+01 0.2254486
F 1.8715140D+01 0.3161255
F 1.0310185D+01 0.3141924
F 5.5055135D+00 0.2451708
F 4.4681569D+00 -0.0790556
F 3.3573012D+00 0.0980103
F 1.7413061D+00 0.0128728
F 8.0470069D-01 0.0004371