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	hartrees
Energy at 0K	-2237.839625
Energy at 298.15K	-2237.840525
HF Energy	-2237.839625
Nuclear repulsion energy	35.187591

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2216	2114	75.37
2	A₁	934	891	26.62
3	E	2232	2129	115.62
3	E	2232	2129	115.61
4	E	1030	983	11.05
4	E	1030	983	11.05

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.070
H2	0.000	1.264	-0.774
H3	1.095	-0.632	-0.774
H4	-1.095	-0.632	-0.774

	As1	H2	H3	H4
As1		1.5202	1.5202	1.5202
H2	1.5202		2.1897	2.1897
H3	1.5202	2.1897		2.1897
H4	1.5202	2.1897	2.1897

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	As1	H3	92.146		H2	As1	H4	92.146
H3	As1	H4	92.146

All results from a given calculation for AsH₃ (Arsine)

using model chemistry: mPW1PW91/TZVP

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	As	-0.010
2	H	0.003
3	H	0.003
4	H	0.003

	x	y	z	Total
	0.000	0.000	-0.448	0.448
CHELPG
AIM
ESP

	x	y	z
x	4.359	0.000	0.000
y	0.000	4.359	-0.000
z	0.000	-0.000	4.068

<r²>	19.392
(<r²>)^1/2	4.404

All results from a given calculation for AsH3 (Arsine)

using model chemistry: mPW1PW91/TZVP

States and conformations

All results from a given calculation for AsH₃ (Arsine)