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	hartrees
Energy at 0K	-3616.642319
Energy at 298.15K	-3616.640714
HF Energy	-3616.642319
Nuclear repulsion energy	537.387050

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	400	388	17.11
2	A₁	181	175	2.14
3	E	373	361	93.15
3	E	372	361	93.13
4	E	141	137	0.48
4	E	141	137	0.48

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.633
Cl2	0.000	1.956	-0.409
Cl3	1.694	-0.978	-0.409
Cl4	-1.694	-0.978	-0.409

	As1	Cl2	Cl3	Cl4
As1		2.2158	2.2158	2.2158
Cl2	2.2158		3.3872	3.3872
Cl3	2.2158	3.3872		3.3872
Cl4	2.2158	3.3872	3.3872

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	As1	Cl3	99.695		Cl2	As1	Cl4	99.695
Cl3	As1	Cl4	99.695

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

using model chemistry: B3LYP/aug-cc-pVDZ

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	0.973
2	Cl	-0.324
3	Cl	-0.324
4	Cl	-0.324

	x	y	z	Total
	0.000	0.000	1.717	1.717
CHELPG
AIM
ESP

	x	y	z
x	12.487	0.000	0.000
y	0.000	12.486	0.001
z	0.000	0.001	8.873

<r²>	251.953
(<r²>)^1/2	15.873

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

using model chemistry: B3LYP/aug-cc-pVDZ

States and conformations

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