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	hartrees
Energy at 0K	-3616.824976
Energy at 298.15K	-3616.823467
HF Energy	-3616.824976
Nuclear repulsion energy	545.100713

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	415	396	24.57
2	A₁	194	185	3.43
3	E	388	371	105.67
3	E	388	371	105.67
4	E	152	145	0.81
4	E	152	145	0.81

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.626
Cl2	0.000	1.926	-0.405
Cl3	1.668	-0.963	-0.405
Cl4	-1.668	-0.963	-0.405

	As1	Cl2	Cl3	Cl4
As1		2.1850	2.1850	2.1850
Cl2	2.1850		3.3365	3.3365
Cl3	2.1850	3.3365		3.3365
Cl4	2.1850	3.3365	3.3365

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	As1	Cl3	99.547		Cl2	As1	Cl4	99.547
Cl3	As1	Cl4	99.547

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

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	0.541
2	Cl	-0.180
3	Cl	-0.180
4	Cl	-0.180

	x	y	z	Total
	0.000	0.000	1.801	1.801
CHELPG
AIM
ESP

<r²>	245.545
(<r²>)^1/2	15.670

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

using model chemistry: mPW1PW91/TZVP

States and conformations

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