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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	-2333.942219
Energy at 298.15K	-2333.940442
HF Energy	-2333.627436
Nuclear repulsion energy	88.423013

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.381
F2	0.000	0.000	-1.397

	As1	F2
As1		1.7774
F2	1.7774

	hartrees
Energy at 0K	-2333.887663
Energy at 298.15K	-2333.885895
HF Energy	-2333.557716
Nuclear repulsion energy	88.857418

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

using model chemistry: MP2=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		1.7687
F2	1.7687

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

using model chemistry: MP2=FULL/aug-cc-pVDZ

States and conformations

State 1 (3Σ)

State 2 (1Δ)

State 1 (³Σ)

State 2 (¹Δ)