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	hartrees
Energy at 0K	-1457.487742
Energy at 298.15K	-1457.488754
HF Energy	-1457.487742
Nuclear repulsion energy	317.156595

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3168	3127	11.17
2	A'	1582	1561	11.60
3	A'	1243	1227	8.53
4	A'	886	874	92.26
5	A'	813	803	129.04
6	A'	618	610	14.17
7	A'	380	375	0.21
8	A'	276	272	0.22
9	A'	171	168	0.72
10	A"	770	760	22.37
11	A"	461	455	3.46
12	A"	199	196	0.26

Atom	x (Å)	y (Å)
C1	-1.032	-0.412
C2	0.000	0.442
H3	-2.051	-0.046
Cl4	-0.873	-2.119
Cl5	-0.290	2.145
Cl6	1.648	-0.034

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3395	1.0825	1.7144	2.6629	2.7064
C2	1.3395		2.1082	2.7052	1.7282	1.7150
H3	1.0825	2.1082		2.3844	2.8114	3.6987
Cl4	1.7144	2.7052	2.3844		4.3039	3.2707
Cl5	2.6629	1.7282	2.8114	4.3039		2.9162
Cl6	2.7064	1.7150	3.6987	3.2707	2.9162

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	119.502	C1	C2	Cl6	123.881
C2	C1	H3	120.537	C2	C1	Cl4	122.957
H3	C1	Cl4	116.506	Cl5	C2	Cl6	116.617

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: B97D3/6-311+G(3df,2p)

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	C	-0.404
2	C	0.671
3	H	0.150
4	Cl	-0.137
5	Cl	-0.178
6	Cl	-0.101

	x	y	z	Total
	-0.758	0.228	0.000	0.792
CHELPG
AIM
ESP

	x	y	z
x	10.830	0.964	0.000
y	0.964	13.687	0.000
z	0.000	0.000	6.848

<r²>	258.147
(<r²>)^1/2	16.067

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)