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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	-2236.462105
Energy at 298.15K	-2236.460412
HF Energy	-2236.462105
Nuclear repulsion energy	11.365705

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.045
H2	0.000	0.000	-1.491

	As1	H2
As1		1.5365
H2	1.5365

Number	Element	Mulliken	CHELPG	AIM	ESP
1	As	0.030
2	H	-0.030

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

using model chemistry: B3LYP/TZVP

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	-2236.413619
Energy at 298.15K	-2236.411926
HF Energy	-2236.413619
Nuclear repulsion energy	11.375094

<r²>	14.106
(<r²>)^1/2	3.756

	As1	H2
As1		1.5352
H2	1.5352

<r²>	14.249
(<r²>)^1/2	3.775

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

using model chemistry: B3LYP/TZVP

States and conformations

State 1 (3Σ)

State 2 (1Σ)

State 1 (³Σ)

State 2 (¹Σ)