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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C*V	³Σ
2	1	yes	C*V	¹Σ

	hartrees
Energy at 0K	-2231.708532
Energy at 298.15K	-2231.706839
HF Energy	-2231.708532
Nuclear repulsion energy	11.424061

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.045
H2	0.000	0.000	-1.484

	As1	H2
As1		1.5286
H2	1.5286

Number	Element	Mulliken	CHELPG	AIM	ESP
1	As	-0.061
2	H	0.061

All results from a given calculation for AsH (Arsenic monohydride)

using model chemistry: SVWN/6-31+G**

States and conformations

State 1 (³Σ)

State 2 (¹Σ)

	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	-2231.661268
Energy at 298.15K	-2231.659575
HF Energy	-2231.661268
Nuclear repulsion energy	11.431944

<r²>	14.185
(<r²>)^1/2	3.766

	As1	H2
As1		1.5275
H2	1.5275

<r²>	14.459
(<r²>)^1/2	3.802

All results from a given calculation for AsH (Arsenic monohydride)

using model chemistry: SVWN/6-31+G**

States and conformations

State 1 (3Σ)

State 2 (1Σ)

State 1 (³Σ)

State 2 (¹Σ)