 Etot  =     -525.946195
 Ekin  =      524.969812
 Ecoul =      231.458124
 Eenuc =    -1253.131982
 Exc   =      -29.242149
 1sD      -113.800134
 1su      -113.800134
 2sD       -10.794172
 2su       -10.794172
 2pD        -8.443439
 2pu        -8.443439
 3sD        -0.883384
 3su        -0.883384
 3pD        -0.382330
 3pu        -0.382330
