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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	-2333.953338
Energy at 298.15K	-2333.951565
HF Energy	-2333.627565
Nuclear repulsion energy	88.640441

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.380
F2	0.000	0.000	-1.393

	As1	F2
As1		1.7731
F2	1.7731

	hartrees
Energy at 0K	-2333.903737
Energy at 298.15K	-2333.901969
HF Energy	-2333.557767
Nuclear repulsion energy	88.945271

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

using model chemistry: CCSD=FULL/aug-cc-pVDZ

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		1.7670
F2	1.7670

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

using model chemistry: CCSD=FULL/aug-cc-pVDZ

States and conformations

State 1 (3Σ)

State 2 (1Δ)

State 1 (³Σ)

State 2 (¹Δ)