 Etot  =     -675.742283
 Ekin  =      674.657334
 Ecoul =      285.206130
 Eenuc =    -1601.463209
 Exc   =      -34.142538
 1sD      -143.935181
 1su      -143.935181
 2sD       -15.046905
 2su       -15.046905
 2pD       -12.285376
 2pu       -12.285376
 3sD        -1.706331
 3su        -1.706331
 3pD        -1.030572
 3pu        -1.030572
 4sD        -0.141411
 4su        -0.141411
