Etot(Eh) Etot(Eh) Bohr Bohr Bohr rad rad
exp K'-Model R1 (1s2) R2 (1 or 2 el) R3 (2 el) alpha(1-1,1-2) beta(2-2)
Li Cv 3 -7.4777 -7.4466 0.5540 3.1200
Be Dh 4 -14.6679 -14.5862 0.4015 1.8900
B D3h 5 -24.6573 -24.6025 0.3140 1.3900
C Td 6 -37.8544 -37.8358 0.2566 1.1077
N Td 7 -54.6100 -54.3658 0.2165 0.9396
O Td 8 -75.1073 -74.8001 0.1869 0.8084
F Td 9 -99.8027 -99.5191 0.1639 0.7059
Ne Td 10 -129.0457 -128.9080 0.1458 0.6248
N C3v 7 -54.6100 -54.4206 0.2165 0.9059 0.9892 2.0526
O C2v 8 -75.1073 -74.8986 0.1869 0.7700 0.8260 1.6600 2.1900
F C3v 9 -99.8027 -99.6169 0.1639 0.6707 0.7106 1.7894