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	hartrees
Energy at 0K	-56.640141
Energy at 298.15K	-56.641121
Nuclear repulsion energy	77.345706

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3217	3119	9.44
2	A'	1614	1564	13.27
3	A'	1267	1228	11.48
4	A'	915	887	113.05
5	A'	825	800	130.95
6	A'	617	598	15.38
7	A'	377	365	0.11
8	A'	269	261	0.30
9	A'	168	163	0.84
10	A"	779	755	32.91
11	A"	443	429	4.15
12	A"	199	193	0.23

Atom	x (Å)	y (Å)
C1	-0.850	-0.590
C2	0.000	0.451
H3	-1.924	-0.439
Cl4	-0.345	-2.262
Cl5	-0.632	2.092
Cl6	1.738	0.312

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3441	1.0852	1.7461	2.6902	2.7406
C2	1.3441		2.1206	2.7350	1.7577	1.7437
H3	1.0852	2.1206		2.4113	2.8416	3.7388
Cl4	1.7461	2.7350	2.4113		4.3626	3.3112
Cl5	2.6902	1.7577	2.8416	4.3626		2.9640
Cl6	2.7406	1.7437	3.7388	3.3112	2.9640

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	119.702	C1	C2	Cl6	124.628
C2	C1	H3	121.237	C2	C1	Cl4	123.993
H3	C1	Cl4	114.770	Cl5	C2	Cl6	115.669

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: B3LYP/CEP-121G*

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	-0.246
2	C	0.053
3	H	0.253
4	Cl	-0.038
5	Cl	-0.025
6	Cl	0.004

	x	y	z	Total
	-0.881	0.079	0.000	0.885
CHELPG
AIM
ESP

	x	y	z
x	8.852	0.147	0.000
y	0.147	12.065	0.004
z	0.000	0.004	4.250

<r²>	129.957
(<r²>)^1/2	11.400

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: B3LYP/CEP-121G*

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)