|
ALLVECS MECI SHIFT=30 SYMMETRY CHARGE=-3 OPEN(5,6) PM7 Ru(III)F6 2T2g ROOT=1,2,T2G H=0 HR=GS Ru 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 F 2.30666231 +1 0.0000000 +0 0.0000000 +0 1 0 0 F 2.30666231 +1 90.0000000 +1 0.0000000 +0 1 2 0 F 2.30666231 +1 90.0000000 +1 180.0000000 +1 1 2 3 F 2.30666231 +1 180.0000000 +1 0.0000000 +1 1 2 3 F 2.30666231 +1 90.0000000 +1 90.0000000 +1 1 2 3 F 2.30666231 +1 90.0000000 +1 -90.0000000 +1 1 2 3