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	hartrees
Energy at 0K	-1456.813469
Energy at 298.15K	-1456.814460
Nuclear repulsion energy	316.330847

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3155	3133	12.25
2	A'	1589	1578	13.25
3	A'	1219	1210	8.33
4	A'	891	885	100.64
5	A'	822	816	120.65
6	A'	618	614	13.90
7	A'	377	375	0.15
8	A'	268	266	0.23
9	A'	163	162	0.74
10	A"	763	758	24.57
11	A"	457	454	3.78
12	A"	199	198	0.21

Atom	x (Å)	y (Å)
C1	-1.039	-0.404
C2	0.000	0.443
H3	-2.061	-0.033
Cl4	-0.884	-2.118
Cl5	-0.277	2.155
Cl6	1.649	-0.049

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3404	1.0871	1.7211	2.6700	2.7119
C2	1.3404		2.1153	2.7087	1.7348	1.7209
H3	1.0871	2.1153		2.3946	2.8230	3.7105
Cl4	1.7211	2.7087	2.3946		4.3158	3.2706
Cl5	2.6700	1.7348	2.8230	4.3158		2.9271
Cl6	2.7119	1.7209	3.7105	3.2706	2.9271

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	119.963	C1	C2	Cl6	124.251
C2	C1	H3	120.887	C2	C1	Cl4	123.969
H3	C1	Cl4	115.144	Cl5	C2	Cl6	115.786

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: PBEPBE/cc-pVTZ

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	-0.068
2	C	0.022
3	H	0.151
4	Cl	-0.041
5	Cl	-0.039
6	Cl	-0.025

	x	y	z	Total
	-0.738	0.249	0.000	0.779
CHELPG
AIM
ESP

	x	y	z
x	9.587	0.779	0.000
y	0.779	12.569	0.000
z	0.000	0.000	4.990

<r²>	259.100
(<r²>)^1/2	16.097

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)