 Etot  =     -458.184562
 Ekin  =      457.312562
 Ecoul =      195.383554
 Eenuc =    -1084.580265
 Exc   =      -26.300412
 1sD      -100.850969
 1su      -100.836176
 2sD        -9.660923
 2su        -9.644842
 2pD        -7.515982
 2pu        -7.496072
 3sD        -1.203183
 3su        -1.127978
 3pD        -0.746541
 3pu        -0.677288
