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	hartrees
Energy at 0K	-1456.799565
Energy at 298.15K	-1456.800559
HF Energy	-1456.799565
Nuclear repulsion energy	317.116967

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3156	3118	11.79
2	A'	1583	1564	13.16
3	A'	1221	1207	8.04
4	A'	897	887	99.08
5	A'	829	818	116.91
6	A'	622	614	13.27
7	A'	380	376	0.14
8	A'	270	267	0.22
9	A'	164	162	0.70
10	A"	765	756	23.37
11	A"	461	455	4.29
12	A"	199	197	0.12

Atom	x (Å)	y (Å)
C1	-1.056	-0.383
C2	0.000	0.452
H3	-2.063	0.004
Cl4	-0.882	-2.096
Cl5	-0.262	2.156
Cl6	1.637	-0.085

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3461	1.0792	1.7213	2.6608	2.7096
C2	1.3461		2.1113	2.6957	1.7246	1.7233
H3	1.0792	2.1113		2.4090	2.8070	3.7017
Cl4	1.7213	2.6957	2.4090		4.2970	3.2230
Cl5	2.6608	1.7246	2.8070	4.2970		2.9380
Cl6	2.7096	1.7233	3.7017	3.2230	2.9380

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	119.611	C1	C2	Cl6	123.501
C2	C1	H3	120.648	C2	C1	Cl4	122.536
H3	C1	Cl4	116.816	Cl5	C2	Cl6	116.888

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: PBEPBE/Def2TZVPP

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	-0.058
2	C	0.053
3	H	0.123
4	Cl	-0.046
5	Cl	-0.045
6	Cl	-0.027

	x	y	z	Total
	-0.702	0.238	0.000	0.741
CHELPG
AIM
ESP

	x	y	z
x	9.719	0.801	0.000
y	0.801	12.609	0.000
z	0.000	0.000	5.512

<r²>	257.909
(<r²>)^1/2	16.060

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)