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	hartrees
Energy at 0K	-1454.805964
Energy at 298.15K	-1454.807300
Nuclear repulsion energy	317.988395

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3418	3091	11.54
2	A'	1827	1653	9.20
3	A'	1408	1273	14.34
4	A'	1028	930	107.44
5	A'	902	816	124.72
6	A'	678	614	15.71
7	A'	417	377	0.10
8	A'	301	273	0.40
9	A'	189	171	1.12
10	A"	941	851	31.84
11	A"	527	477	6.56
12	A"	227	205	0.91

Atom	x (Å)	y (Å)
C1	-1.023	-0.389
C2	0.000	0.433
H3	-2.026	-0.017
Cl4	-0.904	-2.105
Cl5	-0.263	2.141
Cl6	1.647	-0.050

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3124	1.0695	1.7198	2.6417	2.6920
C2	1.3124		2.0751	2.6936	1.7283	1.7165
H3	1.0695	2.0751		2.3705	2.7860	3.6733
Cl4	1.7198	2.6936	2.3705		4.2936	3.2757
Cl5	2.6417	1.7283	2.7860	4.2936		2.9067
Cl6	2.6920	1.7165	3.6733	3.2757	2.9067

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.009	C1	C2	Cl6	124.904
C2	C1	H3	120.851	C2	C1	Cl4	124.782
H3	C1	Cl4	114.366	Cl5	C2	Cl6	115.086

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: HF/6-311G*

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	CHELPG	ESP
1	C	-0.199	-0.049	-0.068
2	C	-0.117	0.104	-0.007
3	H	0.317	0.158	0.188
4	Cl	-0.025	-0.085	-0.066
5	Cl	0.002	-0.084	-0.042
6	Cl	0.022	-0.045	-0.004

	x	y	z	Total
	-1.106	0.295	0.000	1.145
CHELPG
AIM
ESP	-1.189	0.329	0.000	1.233

	x	y	z
x	8.005	0.892	0.000
y	0.892	10.632	0.000
z	0.000	0.000	3.232

<r²>	258.107
(<r²>)^1/2	16.066

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)