MULLIKEN POPULATION ANALYSIS OF a1g FOR LEVEL E( 1) -260.2743 EV ( 1 1s) 1.0000 ( 1 2s) 0.0000 ( 1 2p) 0.0000 ( 2 1s) 0.0000 E( 2) -15.8247 EV ( 1 1s) 0.0000 ( 1 2s) 0.6456 ( 1 2p) 0.0195 ( 2 1s) 0.3349 E( 3) -5.9285 EV ( 1 1s) 0.0000 ( 1 2s) 0.0164 ( 1 2p) 0.8260 ( 2 1s) 0.1576 E( 4) 12.9105 EV ( 1 1s) 0.0000 ( 1 2s) 0.3380 ( 1 2p) 0.1545 ( 2 1s) 0.5075 CHRG OF a1g BLOCK NO. OF ELECTRONS IN I ORBITAL OF X ATOM ( 1 1s 0) 2.0000 ( 1 2s 0) 1.3240 ( 1 2p 0) 1.6910 ( 3 1s 0) 0.9850 ( CHRG(X ATOM, Y ATOM) ( 1) 4.7052 ( 3) 0.6195 0.6753 MULLIKEN POPULATION ANALYSIS OF a2g FOR LEVEL CHRG OF a2g BLOCK NO. OF ELECTRONS IN I ORBITAL OF X ATOM ( CHRG(X ATOM, Y ATOM) MULLIKEN POPULATION ANALYSIS OF a1u FOR LEVEL CHRG OF a1u BLOCK NO. OF ELECTRONS IN I ORBITAL OF X ATOM ( CHRG(X ATOM, Y ATOM) MULLIKEN POPULATION ANALYSIS OF a2u FOR LEVEL E( 1) -260.2707 EV ( 1 1s) 1.0000 ( 1 2s) 0.0000 ( 1 2p) 0.0000 ( 2 1s) 0.0000 E( 2) -12.6176 EV ( 1 1s) 0.0000 ( 1 2s) 0.4143 ( 1 2p) 0.1207 ( 2 1s) 0.4650 E( 3) 12.6984 EV ( 1 1s) 0.0000 ( 1 2s) 0.2024 ( 1 2p) 0.7967 ( 2 1s) 0.0009 E( 4) 14.1616 EV ( 1 1s) 0.0000 ( 1 2s) 0.3833 ( 1 2p) 0.0826 ( 2 1s) 0.5341 CHRG OF a2u BLOCK NO. OF ELECTRONS IN I ORBITAL OF X ATOM ( 1 1s 0) 2.0000 ( 1 2s 0) 0.8287 ( 1 2p 0) 0.2414 ( 3 1s 0) 0.9300 ( CHRG(X ATOM, Y ATOM) ( 1) 2.6563 ( 3) 0.8275 0.5162 MULLIKEN POPULATION ANALYSIS OF eg FOR LEVEL E( 1) -5.7078 EV ( 1 2p) 0.4278 ( 2 1s) 0.5722 ( E( 2) 14.7295 EV ( 1 2p) 0.5722 ( 2 1s) 0.4278 ( CHRG OF eg BLOCK NO. OF ELECTRONS IN I ORBITAL OF X ATOM ( 1 2p 1) 0.8556 ( 3 1s 0) 1.1444 ( CHRG(X ATOM, Y ATOM) ( 1) 0.5063 ( 3) 0.6985 0.7951 MULLIKEN POPULATION ANALYSIS OF eu FOR LEVEL E( 1) -8.1391 EV ( 1 2p) 0.5548 ( 2 1s) 0.4452 ( E( 2) 11.8940 EV ( 1 2p) 0.4452 ( 2 1s) 0.5548 ( CHRG OF eu BLOCK NO. OF ELECTRONS IN I ORBITAL OF X ATOM ( 1 2p-1) 1.1096 ( 4 1s 0) 0.8904 ( CHRG(X ATOM, Y ATOM) ( 1) 0.7428 ( 4) 0.7336 0.5236