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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	-29.887914
Energy at 298.15K	-29.886113
HF Energy	-29.887914
Nuclear repulsion energy	10.185156

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.390
F2	0.000	0.000	-1.429

	As1	F2
As1		1.8185
F2	1.8185

Number	Element	Mulliken	CHELPG	AIM	ESP
1	As	0.584
2	F	-0.584

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

using model chemistry: HF/CEP-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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You are here: Calculated > Energy > Optimized > Energy

	hartrees
Energy at 0K	-29.817603
Energy at 298.15K	-29.815807
HF Energy	-29.817603
Nuclear repulsion energy	10.229175

<r²>	27.121
(<r²>)^1/2	5.208

	As1	F2
As1		1.8106
F2	1.8106

<r²>	27.212
(<r²>)^1/2	5.217

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

using model chemistry: HF/CEP-31G

States and conformations

State 1 (3Σ)

State 2 (1Δ)

State 1 (³Σ)

State 2 (¹Δ)