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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	-2331.675465
Energy at 298.15K	-2331.673710
HF Energy	-2331.418217
Nuclear repulsion energy	89.606169

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.376
F2	0.000	0.000	-1.378

	As1	F2
As1		1.7540
F2	1.7540

	hartrees
Energy at 0K	-2331.625418
Energy at 298.15K	-2331.623666
HF Energy	-2331.347187
Nuclear repulsion energy	89.739848

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

using model chemistry: QCISD/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		1.7513
F2	1.7513

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

using model chemistry: QCISD/6-31G*

States and conformations

State 1 (3Σ)

State 2 (1Δ)

State 1 (³Σ)

State 2 (¹Δ)