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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	-2233.984578
Energy at 298.15K
HF Energy	-2233.984578
Nuclear repulsion energy	11.490374

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.045
H2	0.000	0.000	-1.475

	As1	H2
As1		1.5198
H2	1.5198

Number	Element	Mulliken	CHELPG	AIM	ESP
1	As	-0.038
2	H	0.038

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

using model chemistry: PBE1PBE/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	-2233.928962
Energy at 298.15K	-2233.927270
HF Energy	-2233.928962
Nuclear repulsion energy	11.493416

<r²>	14.148
(<r²>)^1/2	3.761

	As1	H2
As1		1.5194
H2	1.5194

<r²>	14.443
(<r²>)^1/2	3.800

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

using model chemistry: PBE1PBE/6-31+G**

States and conformations

State 1 (3Σ)

State 2 (1Σ)

State 1 (³Σ)

State 2 (¹Σ)