BROMINE K(2)L(8)M(18)4S(2)4P(5), 2P
CHARGE = 35.000000
SYMMETRY SPECIES S P D
NUMBER OF BASIS FUNCTIONS 20 15 9
NUMBER OF CLOSED SHELLS 4 2 1
NUMBER OF OPEN SHELLS 0 1 0
OPEN SHELL OCCUPATION NUMBER 0 5 0
*** FINAL SCF RESULTS ***
E = -2604.510642926
ORBITAL ENERGIES AND EXPANSION COEFFICIENTS
S 1S 2S 3S 4S
BASIS/ORB.ENERGY -498.2301400 -67.0973680 -10.1956580 -1.0205306
S 7.2009610D+07 0.0000490 -0.0000158 -0.0000063 -0.0000019
S 7.6859820D+06 0.0001880 -0.0000607 -0.0000242 -0.0000074
S 1.3348240D+06 0.0005753 -0.0001860 -0.0000742 -0.0000228
S 3.0371420D+05 0.0015592 -0.0005049 -0.0002014 -0.0000619
S 8.3266680D+04 0.0039816 -0.0012959 -0.0005174 -0.0001591
S 2.6029000D+04 0.0100560 -0.0032906 -0.0013141 -0.0004040
S 8.9968490D+03 0.0254451 -0.0084688 -0.0033923 -0.0010439
S 3.3665500D+03 0.0639202 -0.0217871 -0.0087431 -0.0026890
S 1.3428090D+03 0.1483477 -0.0540081 -0.0219022 -0.0067548
S 5.6636340D+02 0.2831689 -0.1161416 -0.0477539 -0.0147362
S 2.4983410D+02 0.3665730 -0.1979735 -0.0849360 -0.0264385
S 1.1312160D+02 0.2308156 -0.1574597 -0.0710172 -0.0221857
S 4.5638330D+01 0.0345092 0.2739301 0.1543222 0.0498337
S 2.1857130D+01 -0.0050767 0.6198061 0.5052885 0.1745145
S 1.0444100D+01 0.0024969 0.2687683 0.2265300 0.0782616
S 4.5552250D+00 -0.0012093 0.0180460 -0.6464489 -0.2856510
S 2.0469360D+00 0.0005256 0.0008541 -0.6252017 -0.4891268
S 6.7755470D-01 -0.0002627 -0.0000086 -0.0548315 0.1776828
S 3.3353780D-01 0.0001575 -0.0000213 0.0109053 0.7321830
S 1.3402780D-01 -0.0000375 -0.0000111 -0.0022389 0.3318115
P 2P 3P 4P
BASIS/ORB.ENERGY -58.9953300 -7.5476821 -0.4558501
P 5.0578350D+04 0.0001396 -0.0000563 0.0000145
P 8.5101240D+03 0.0008152 -0.0003297 0.0000853
P 2.2986400D+03 0.0040684 -0.0016510 0.0004260
P 7.8319730D+02 0.0176870 -0.0072528 0.0018824
P 3.0553480D+02 0.0632662 -0.0264633 0.0068494
P 1.3064040D+02 0.1739055 -0.0757764 0.0198405
P 5.9330130D+01 0.3344684 -0.1537503 0.0402128
P 2.8140710D+01 0.3805509 -0.1815594 0.0485645
P 1.3662560D+01 0.1886755 0.0253744 -0.0144115
P 6.5349470D+00 0.0269871 0.3952890 -0.1248075
P 3.1114500D+00 0.0015490 0.4922540 -0.1875382
P 1.4723140D+00 0.0001911 0.1996686 -0.0286651
P 5.9142640D-01 0.0000330 0.0145744 0.3833991
P 2.3702630D-01 -0.0000301 0.0004082 0.5387650
P 9.0022450D-02 0.0000013 0.0004073 0.2349508
D 3D
BASIS/ORB.ENERGY -3.1542587
D 6.9176450D+02 0.0005516
D 2.0306310D+02 0.0048200
D 7.7678530D+01 0.0247205
D 3.3603410D+01 0.0831302
D 1.5641360D+01 0.1967458
D 7.4681440D+00 0.3205218
D 3.5128360D+00 0.3613886
D 1.5923600D+00 0.2427944
D 6.4640880D-01 0.0617789