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	hartrees
Energy at 0K	-2237.385584
Energy at 298.15K
HF Energy	-2237.385584
Nuclear repulsion energy	35.162030

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	2209	2209	64.10	257.22	0.01	0.02
2	A₁	921	921	23.67	12.96	0.69	0.82
3	E	2222	2222	98.35	127.84	0.75	0.86
3	E	2222	2222	98.35	127.84	0.75	0.86
4	E	1016	1016	10.85	20.07	0.75	0.86
4	E	1016	1016	10.85	20.07	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.071
H2	0.000	1.264	-0.777
H3	1.094	-0.632	-0.777
H4	-1.094	-0.632	-0.777

	As1	H2	H3	H4
As1		1.5213	1.5213	1.5213
H2	1.5213		2.1887	2.1887
H3	1.5213	2.1887		2.1887
H4	1.5213	2.1887	2.1887

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	As1	H3	92.001		H2	As1	H4	92.001
H3	As1	H4	92.001

All results from a given calculation for AsH₃ (Arsine)

using model chemistry: PBE1PBE/Def2TZVPP

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	0.004
2	H	-0.001
3	H	-0.001
4	H	-0.001

	x	y	z	Total
	0.000	0.000	-0.343	0.343
CHELPG
AIM
ESP

<r²>	19.408
(<r²>)^1/2	4.405

All results from a given calculation for AsH3 (Arsine)

using model chemistry: PBE1PBE/Def2TZVPP

States and conformations

All results from a given calculation for AsH₃ (Arsine)