 Etot  =   -15283.158697
 Ekin  =    15277.576764
 Ecoul =     6122.323571
 Eenuc =   -36384.395225
 Exc   =     -298.663807
 1s      -2341.307233
 2s       -385.119222
 2p       -369.277114
 3s        -88.131037
 3p        -80.765350
 3d        -66.987937
 4s        -17.834085
 4p        -14.758376
 4d         -9.142915
 4f         -1.814001
 5s         -2.659269
 5p         -1.767772
 5d         -0.477025
 6s         -0.403086
