 Etot  =     -758.685248
 Ekin  =      757.532115
 Ecoul =      318.605740
 Eenuc =    -1797.907745
 Exc   =      -36.915357
 1sD      -160.181357
 1su      -160.181459
 2sD       -17.207840
 2su       -17.199024
 2pD       -14.240439
 2pu       -14.233577
 3sD        -1.999553
 3su        -1.972003
 3pD        -1.244357
 3pu        -1.216970
 3dD        -0.141137
 3du        -0.117270
 4sD        -0.160962
 4su        -0.150882
