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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C*V	³Σ
2	1	yes	C*V	¹Δ

	hartrees
Energy at 0K	-2332.005078
Energy at 298.15K	-2332.003341
HF Energy	-2331.583482
Nuclear repulsion energy	92.022634

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.366
F2	0.000	0.000	-1.342

	As1	F2
As1		1.7079
F2	1.7079

	hartrees
Energy at 0K	-2331.953052
Energy at 298.15K	-2331.951320
HF Energy	-2331.512857
Nuclear repulsion energy	92.239707

All results from a given calculation for AsF (Arsenic monofluoride)

using model chemistry: MP2=FULL/6-31G(2df,p)

States and conformations

State 1 (³Σ)

State 2 (¹Δ)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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	As1	F2
As1		1.7039
F2	1.7039

All results from a given calculation for AsF (Arsenic monofluoride)

using model chemistry: MP2=FULL/6-31G(2df,p)

States and conformations

State 1 (3Σ)

State 2 (1Δ)

State 1 (³Σ)

State 2 (¹Δ)