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	hartrees
Energy at 0K	-1457.559254
Energy at 298.15K	-1457.560376
Nuclear repulsion energy	318.302146

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3250	3116	11.97
2	A'	1675	1605	12.47
3	A'	1284	1231	10.09
4	A'	942	903	121.06
5	A'	859	824	129.68
6	A'	643	616	14.30
7	A'	394	377	0.24
8	A'	283	272	0.29
9	A'	180	172	0.96
10	A"	804	771	33.73
11	A"	478	458	6.98
12	A"	209	200	0.24

Atom	x (Å)	y (Å)
C1	-1.034	-0.395
C2	0.000	0.440
H3	-2.048	-0.026
Cl4	-0.887	-2.101
Cl5	-0.266	2.144
Cl6	1.638	-0.057

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3289	1.0795	1.7125	2.6524	2.6930
C2	1.3289		2.1008	2.6915	1.7243	1.7116
H3	1.0795	2.1008		2.3779	2.8083	3.6864
Cl4	1.7125	2.6915	2.3779		4.2901	3.2485
Cl5	2.6524	1.7243	2.8083	4.2901		2.9098
Cl6	2.6930	1.7116	3.6864	3.2485	2.9098

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.063	C1	C2	Cl6	124.191
C2	C1	H3	121.098	C2	C1	Cl4	124.003
H3	C1	Cl4	114.900	Cl5	C2	Cl6	115.747

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: B1B95/6-311G*

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
1	C	-0.237
2	C	-0.184
3	H	0.304
4	Cl	0.014
5	Cl	0.041
6	Cl	0.061

	x	y	z	Total
	-0.905	0.251	0.000	0.939
CHELPG
AIM
ESP

	x	y	z
x	8.394	0.725	0.000
y	0.725	11.422	0.000
z	0.000	0.000	3.354

<r²>	256.623
(<r²>)^1/2	16.019

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: B1B95/6-311G*

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)