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	hartrees
Energy at 0K	-1457.496927
Energy at 298.15K	-1457.498017
Nuclear repulsion energy	317.392987

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3221	3115	13.69
2	A'	1637	1583	10.54
3	A'	1275	1233	8.58
4	A'	916	886	90.01
5	A'	833	805	114.66
6	A'	630	610	13.03
7	A'	387	374	0.11
8	A'	279	269	0.24
9	A'	173	167	0.75
10	A"	818	791	21.98
11	A"	478	462	3.64
12	A"	206	199	0.37

Atom	x (Å)	y (Å)
C1	-1.033	-0.398
C2	0.000	0.439
H3	-2.045	-0.027
Cl4	-0.892	-2.110
Cl5	-0.269	2.148
Cl6	1.645	-0.050

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3291	1.0781	1.7174	2.6582	2.7001
C2	1.3291		2.0971	2.7001	1.7301	1.7162
H3	1.0781	2.0971		2.3807	2.8080	3.6899
Cl4	1.7174	2.7001	2.3807		4.3031	3.2675
Cl5	2.6582	1.7301	2.8080	4.3031		2.9145
Cl6	2.7001	1.7162	3.6899	3.2675	2.9145

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.096	C1	C2	Cl6	124.412
C2	C1	H3	120.834	C2	C1	Cl4	124.326
H3	C1	Cl4	114.840	Cl5	C2	Cl6	115.492

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: B3LYP/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	-0.368
2	C	0.614
3	H	0.181
4	Cl	-0.141
5	Cl	-0.184
6	Cl	-0.103

	x	y	z	Total
	-0.801	0.240	0.000	0.836
CHELPG
AIM
ESP

	x	y	z
x	10.627	0.994	0.000
y	0.994	13.324	0.000
z	0.000	0.000	6.756

<r²>	258.129
(<r²>)^1/2	16.066

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: B3LYP/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)