|
CHARGE=-3 PM7 Ga(III)F6(3-) (BUYFOQ01) H=-258.4 HR=PW91D Ga 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 F 1.86764060 +1 0.0000000 +0 0.0000000 +0 1 0 0 F 1.86764177 +1 179.9000000 +0 0.0000000 +0 1 2 0 F 1.86767028 +1 90.0159510 +1 73.4448715 +1 1 2 3 F 1.86760820 +1 89.9866576 +1 179.9114302 +1 1 2 4 F 1.86759192 +1 90.0735533 +1 -90.0114900 +1 1 2 5 F 1.86769190 +1 89.9240512 +1 179.9628186 +1 1 2 6