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	hartrees
Energy at 0K	-3616.914846
Energy at 298.15K	-3616.913346
HF Energy	-3616.914846
Nuclear repulsion energy	547.970560

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	420	403	19.37
2	A₁	193	185	2.40
3	E	393	376	94.38
3	E	393	376	94.39
4	E	150	144	0.57
4	E	150	144	0.57

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.627
Cl2	0.000	1.914	-0.406
Cl3	1.657	-0.957	-0.406
Cl4	-1.657	-0.957	-0.406

	As1	Cl2	Cl3	Cl4
As1		2.1746	2.1746	2.1746
Cl2	2.1746		3.3145	3.3145
Cl3	2.1746	3.3145		3.3145
Cl4	2.1746	3.3145	3.3145

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	As1	Cl3	99.297		Cl2	As1	Cl4	99.297
Cl3	As1	Cl4	99.297

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

using model chemistry: mPW1PW91/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	0.963
2	Cl	-0.321
3	Cl	-0.321
4	Cl	-0.321

	x	y	z	Total
	0.000	0.000	1.478	1.478
CHELPG
AIM
ESP

	x	y	z
x	12.140	0.000	0.000
y	0.000	12.140	0.001
z	0.000	0.001	8.929

<r²>	242.797
(<r²>)^1/2	15.582

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

using model chemistry: mPW1PW91/aug-cc-pVTZ

States and conformations

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