ALUMINUM K(2)L(8)3S(2)3P(1), 2P
CHARGE = 13.000000
SYMMETRY SPECIES S P
NUMBER OF BASIS FUNCTIONS 16 11
NUMBER OF CLOSED SHELLS 3 1
NUMBER OF OPEN SHELLS 0 1
OPEN SHELL OCCUPATION NUMBER 0 1
*** FINAL SCF RESULTS ***
E = -242.313123200
ORBITAL ENERGIES AND EXPANSION COEFFICIENTS
S 1S 2S 3S
BASIS/ORB.ENERGY -58.6202430 -4.9282867 -0.3941824
S 1.4629480D+06 0.0000535 -0.0000140 -0.0000032
S 1.9152620D+05 0.0001987 -0.0000519 -0.0000120
S 3.7762870D+04 0.0006852 -0.0001789 -0.0000412
S 9.8457790D+03 0.0021881 -0.0005737 -0.0001329
S 3.0711180D+03 0.0070158 -0.0018399 -0.0004227
S 1.0708940D+03 0.0218383 -0.0058192 -0.0013542
S 4.0689400D+02 0.0612084 -0.0166029 -0.0038102
S 1.6595320D+02 0.1477088 -0.0427940 -0.0100643
S 7.0830320D+01 0.2882614 -0.0932823 -0.0215774
S 3.1078560D+01 0.3763509 -0.1636461 -0.0401129
S 1.3714470D+01 0.2246346 -0.1356255 -0.0320189
S 5.1101110D+00 0.0269217 0.2083737 0.0523983
S 2.2218860D+00 -0.0021837 0.5781054 0.2066897
S 9.3876970D-01 0.0011545 0.3623572 0.2317678
S 1.8217580D-01 -0.0001952 0.0131123 -0.6262596
S 6.5149610D-02 0.0000763 -0.0033545 -0.5316555
P 2P 3P
BASIS/ORB.ENERGY -3.2162687 -0.2094584
P 1.3478230D+03 0.0002880 -0.0000519
P 3.1320780D+02 0.0023009 -0.0004135
P 9.7617320D+01 0.0129228 -0.0023392
P 3.5127490D+01 0.0529030 -0.0096323
P 1.3850100D+01 0.1572720 -0.0293251
P 5.7392250D+00 0.3157161 -0.0595749
P 2.4003200D+00 0.4036788 -0.0808808
P 9.9561500D-01 0.2551224 -0.0496639
P 3.3667850D-01 0.0327197 0.1963935
P 1.2119170D-01 -0.0032202 0.5530354
P 4.2488240D-02 0.0012276 0.3990669