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	hartrees
Energy at 0K	-1457.179267
Energy at 298.15K	-1457.180359
Nuclear repulsion energy	316.833762

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3263	3122	12.81
2	A'	1672	1600	12.33
3	A'	1293	1237	9.57
4	A'	947	906	111.37
5	A'	859	822	123.21
6	A'	642	614	14.54
7	A'	393	376	0.13
8	A'	282	270	0.34
9	A'	173	165	0.89
10	A"	809	774	30.51
11	A"	478	457	3.87
12	A"	208	199	0.55

Atom	x (Å)	y (Å)
C1	-1.031	-0.409
C2	0.000	0.441
H3	-2.051	-0.044
Cl4	-0.876	-2.120
Cl5	-0.290	2.147
Cl6	1.651	-0.036

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3364	1.0833	1.7175	2.6619	2.7076
C2	1.3364		2.1075	2.7062	1.7311	1.7180
H3	1.0833	2.1075		2.3855	2.8112	3.7016
Cl4	1.7175	2.7062	2.3855		4.3072	3.2749
Cl5	2.6619	1.7311	2.8112	4.3072		2.9211
Cl6	2.7076	1.7180	3.7016	3.2749	2.9211

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	119.854	C1	C2	Cl6	124.391
C2	C1	H3	120.787	C2	C1	Cl4	124.310
H3	C1	Cl4	114.903	Cl5	C2	Cl6	115.755

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: B3PW91/6-31G*

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	ESP
1	C	-0.265	-0.119
2	C	-0.203	-0.034
3	H	0.247	0.187
4	Cl	0.054	-0.032
5	Cl	0.072	-0.016
6	Cl	0.096	0.014

	x	y	z	Total
	-0.912	0.243	0.000	0.944
CHELPG
AIM
ESP	-0.986	0.274	0.000	1.023

<r²>	258.393
(<r²>)^1/2	16.075

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)