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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	-2331.708020
Energy at 298.15K	-2331.706249
HF Energy	-2331.444137
Nuclear repulsion energy	88.799724

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.379
F2	0.000	0.000	-1.391

	As1	F2
As1		1.7699
F2	1.7699

	hartrees
Energy at 0K	-2331.657976
Energy at 298.15K	-2331.656208
HF Energy	-2331.373466
Nuclear repulsion energy	89.041890

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

using model chemistry: QCISD/6-31+G**

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		1.7651
F2	1.7651

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

using model chemistry: QCISD/6-31+G**

States and conformations

State 1 (3Σ)

State 2 (1Δ)

State 1 (³Σ)

State 2 (¹Δ)