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	hartrees
Energy at 0K	-1456.772751
Energy at 298.15K	-1456.773744
Nuclear repulsion energy	315.294725

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3165	3136	12.99
2	A'	1593	1578	14.02
3	A'	1226	1215	9.13
4	A'	891	883	120.16
5	A'	819	811	141.81
6	A'	615	610	15.10
7	A'	379	375	0.34
8	A'	275	273	0.27
9	A'	168	167	0.79
10	A"	753	746	33.39
11	A"	455	451	7.01
12	A"	197	196	0.14

Atom	x (Å)	y (Å)
C1	-1.038	-0.410
C2	0.000	0.443
H3	-2.062	-0.044
Cl4	-0.883	-2.129
Cl5	-0.287	2.159
Cl6	1.658	-0.039

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3433	1.0880	1.7262	2.6757	2.7210
C2	1.3433		2.1193	2.7196	1.7392	1.7266
H3	1.0880	2.1193		2.3954	2.8290	3.7204
Cl4	1.7262	2.7196	2.3954		4.3288	3.2900
Cl5	2.6757	1.7392	2.8290	4.3288		2.9348
Cl6	2.7210	1.7266	3.7204	3.2900	2.9348

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	119.911	C1	C2	Cl6	124.362
C2	C1	H3	120.949	C2	C1	Cl4	124.276
H3	C1	Cl4	114.775	Cl5	C2	Cl6	115.728

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: PBEPBE/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	-0.116
2	C	-0.218
3	H	0.206
4	Cl	0.014
5	Cl	0.049
6	Cl	0.065

	x	y	z	Total
	-0.838	0.229	0.000	0.869
CHELPG
AIM
ESP

	x	y	z
x	8.754	0.688	0.000
y	0.688	12.037	0.000
z	0.000	0.000	3.418

<r²>	261.307
(<r²>)^1/2	16.165

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: PBEPBE/6-311G**

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)