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	hartrees
Energy at 0K	-1457.206003
Energy at 298.15K	-1457.206786
Nuclear repulsion energy	303.867025

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3208	3184	11.40
2	A'	1611	1599	12.59
3	A'	1239	1230	9.00
4	A'	813	807	103.64
5	A'	727	721	130.64
6	A'	559	555	20.51
7	A'	345	342	0.26
8	A'	251	249	0.48
9	A'	160	158	1.23
10	A"	783	778	39.34
11	A"	436	433	4.83
12	A"	187	186	1.09

Atom	x (Å)	y (Å)
C1	-1.080	-0.354
C2	0.000	0.441
H3	-2.097	0.029
Cl4	-1.001	-2.170
Cl5	-0.212	2.257
Cl6	1.717	-0.119

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3410	1.0870	1.8169	2.7517	2.8070
C2	1.3410		2.1370	2.7959	1.8283	1.8064
H3	1.0870	2.1370		2.4565	2.9184	3.8172
Cl4	1.8169	2.7959	2.4565		4.4963	3.4052
Cl5	2.7517	1.8283	2.9184	4.4963		3.0606
Cl6	2.8070	1.8064	3.8172	3.4052	3.0606

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	119.721	C1	C2	Cl6	125.566
C2	C1	H3	122.975	C2	C1	Cl4	123.897
H3	C1	Cl4	113.128	Cl5	C2	Cl6	114.713

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: BLYP/6-31G

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	-0.244
2	C	-0.337
3	H	0.204
4	Cl	0.097
5	Cl	0.120
6	Cl	0.159

	x	y	z	Total
	-1.104	0.338	0.000	1.154
CHELPG
AIM
ESP

<r²>	278.895
(<r²>)^1/2	16.700

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: BLYP/6-31G

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)