|
GNORM=0.02 SHIFT=80 UHF PM7 Molybdenum(V) pentafluoride H=-296.7 HR=NIST Mo 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 F 1.83059835 +1 0.0000000 +0 0.0000000 +0 1 0 0 F 1.83039248 +1 77.6296207 +1 0.0000000 +0 1 2 0 F 1.83060934 +1 77.6206194 +1 179.8655115 +1 1 3 2 F 1.83533830 +1 133.3640307 +1 112.5481031 +1 1 3 2 F 1.83533920 +1 133.1899289 +1 -67.5500833 +1 1 3 2