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	hartrees
Energy at 0K	-3616.671786
Energy at 298.15K	-3616.670228
HF Energy	-3616.671786
Nuclear repulsion energy	545.095179

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	410	395	17.98
2	A₁	187	180	2.22
3	E	381	368	93.61
3	E	381	368	93.58
4	E	145	140	0.52
4	E	145	140	0.52

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.629
Cl2	0.000	1.925	-0.407
Cl3	1.667	-0.962	-0.407
Cl4	-1.667	-0.962	-0.407

	As1	Cl2	Cl3	Cl4
As1		2.1856	2.1856	2.1856
Cl2	2.1856		3.3340	3.3340
Cl3	2.1856	3.3340		3.3340
Cl4	2.1856	3.3340	3.3340

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	As1	Cl3	99.407		Cl2	As1	Cl4	99.407
Cl3	As1	Cl4	99.407

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

using model chemistry: TPSSh/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	0.946
2	Cl	-0.315
3	Cl	-0.315
4	Cl	-0.315

	x	y	z	Total
	0.000	0.000	1.481	1.481
CHELPG
AIM
ESP

	x	y	z
x	12.378	0.000	0.000
y	0.000	12.380	0.001
z	0.000	0.001	9.014

<r²>	245.138
(<r²>)^1/2	15.657

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

using model chemistry: TPSSh/aug-cc-pVTZ

States and conformations

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