|
CHARGE=-2 PULAY SHIFT=80 SYMMETRY PM7 Palladium(II) tetrafluoride H=-156.68 HR=PW91D I=-4.69 IR=PW91D Pd 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 F 1.87806398 +1 0.0000000 +0 0.0000000 +0 1 0 0 F 1.87806398 +0 90.0000000 +1 0.0000000 +0 1 2 0 F 1.87806398 +0 90.0000000 +0 -180.0000000 +0 1 2 3 F 1.87806398 +0 90.0000000 +0 -180.0000000 +0 1 4 2