NEON 1S(2)2S(2)2P(6), 1S CHARGE = 10.000000 SYMMETRY SPECIES S P NUMBER OF BASIS FUNCTIONS 12 8 NUMBER OF CLOSED SHELLS 2 1 NUMBER OF OPEN SHELLS 0 0 OPEN SHELL OCCUPATION NUMBER 0 0 *** FINAL SCF RESULTS *** E = -128.684089534 ORBITAL ENERGIES AND EXPANSION COEFFICIENTS S 1S 2S BASIS/ORB.ENERGY -32.8115270 -1.9354010 S 1.0027703D+05 0.0002301 -0.0000541 S 1.5024777D+04 0.0009442 -0.0002231 S 3.4194243D+03 0.0039169 -0.0009214 S 9.6833099D+02 0.0150440 -0.0036033 S 3.1576162D+02 0.0506811 -0.0122007 S 1.1381543D+02 0.1415561 -0.0365407 S 4.4142643D+01 0.3015704 -0.0851788 S 1.8081932D+01 0.4014370 -0.1581241 S 7.5854437D+00 0.2227955 -0.1160160 S 2.3503864D+00 0.0191502 0.2965008 S 9.0552447D-01 -0.0022686 0.5861880 S 3.3151899D-01 0.0009763 0.2735738 P 2P BASIS/ORB.ENERGY -0.8496043 P 2.9874009D+02 0.0010899 P 7.0702612D+01 0.0084663 P 2.2515939D+01 0.0396798 P 8.2802704D+00 0.1273139 P 3.2879672D+00 0.2691812 P 1.3221027D+00 0.3712341 P 5.1743659D-01 0.3298036 P 1.9198390D-01 0.1281071