 Etot  =     -340.005794
 Ekin  =      339.246155
 Ecoul =      153.286547
 Eenuc =     -810.676999
 Exc   =      -21.861498
 1sD       -76.049445
 1su       -76.036841
 2sD        -6.319803
 2su        -6.305228
 2pD        -4.568637
 2pu        -4.550456
 3sD        -0.540297
 3su        -0.450172
 3pD        -0.231378
 3pu        -0.151493
