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	hartrees
Energy at 0K	-3615.785852
Energy at 298.15K	-3615.784222
HF Energy	-3615.785852
Nuclear repulsion energy	540.513963

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	397	393	15.65
2	A₁	178	176	1.80
3	E	369	365	90.38
3	E	369	365	90.37
4	E	139	137	0.41
4	E	139	137	0.41

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.627
Cl2	0.000	1.945	-0.406
Cl3	1.685	-0.973	-0.406
Cl4	-1.685	-0.973	-0.406

	As1	Cl2	Cl3	Cl4
As1		2.2026	2.2026	2.2026
Cl2	2.2026		3.3695	3.3695
Cl3	2.2026	3.3695		3.3695
Cl4	2.2026	3.3695	3.3695

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	As1	Cl3	99.796		Cl2	As1	Cl4	99.796
Cl3	As1	Cl4	99.796

All results from a given calculation for AsCl₃ (Arsenous trichloride)

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

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	0.943
2	Cl	-0.314
3	Cl	-0.314
4	Cl	-0.314

	x	y	z	Total
	0.000	0.000	1.509	1.509
CHELPG
AIM
ESP

	x	y	z
x	12.924	0.000	0.000
y	0.000	12.925	-0.000
z	0.000	-0.000	9.298

<r²>	249.256
(<r²>)^1/2	15.788

All results from a given calculation for AsCl3 (Arsenous trichloride)

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

States and conformations

All results from a given calculation for AsCl₃ (Arsenous trichloride)