Database calculations.
GAUSSIAN 1 MOL ORBITALS 8 PRIMITIVES 1 NUCLEI
He 1 (CENTRE 1) 0.00000000 0.00000000 0.00000000 CHARGE = 2.0
CENTRE ASSIGNMENTS 1 1 1 1 1 1 1 1
TYPE ASSIGNMENTS 1 1 1 1 1 2 3 4
EXPONENTS 0.9807832D+02 0.1476440D+02 0.3318583D+01 0.8741387D+00 0.2445990D+00
EXPONENTS 0.1000000D+01 0.1000000D+01 0.1000000D+01
MO 1 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.666478
0.17189974D+00 0.30059817D+00 0.39492239D+00 0.30309234D+00 0.10214430D+00
0.19440891D-15 0.20089490D-15 0.20983854D-15
END DATA
TOTAL ENERGY = -2.893098794866 THE VIRIAL(-V/T)= 2.01125438¾Ã¾Ã¾«Æ·¹ú²ú99¾Ã¾ÃÏã½¶