ATOM INFO

MOLECULAR INFO

Charge / Multiplicity: 0 1

JOB |

Energy Value Units
SCF Done: -40.1985783587 Eh

alpha-alpha T2 = 0.5715273911e-02 E2 = -0.1593530293e-01
alpha-beta T2 = 0.4459296127e-01 E2 = -0.1351390998e+00
beta-beta T2 = 0.5715273911e-02 E2 = -0.1593530293e-01
ANorm 0.1027630045e+01
E2 -0.1670097057e+00
EUMP2 -0.40365588064343e+02
Energy Value Units
HF -40.1985784 Eh
MP2 -40.3655881 Eh
MP3 -40.3858582 Eh
MP4D -40.3906681 Eh
MP4DQ -40.3877608 Eh
MP4SDQ -40.3883787 Eh
CCSD -40.3886413 Eh
CCSD(T) -40.3930083 Eh

Dipole moment

X Y Z Total
0.0000 0.0000 0.0000 0.0000

Quadrupole moment

XX YY ZZ XY XZ YZ
-8.3729 -8.3729 -8.3729 0.0000 0.0000 0.0000