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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	-2331.657559
Energy at 298.15K	-2331.655812
HF Energy	-2331.418476
Nuclear repulsion energy	90.031958

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.374
F2	0.000	0.000	-1.372

	As1	F2
As1		1.7457
F2	1.7457

	hartrees
Energy at 0K	-2331.600591
Energy at 298.15K	-2331.598849
HF Energy	-2331.347564
Nuclear repulsion energy	90.346309

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

using model chemistry: CISD/6-31G*

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		1.7396
F2	1.7396

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

using model chemistry: CISD/6-31G*

States and conformations

State 1 (3Σ)

State 2 (1Δ)

State 1 (³Σ)

State 2 (¹Δ)