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	hartrees
Energy at 0K	-1456.784388
Energy at 298.15K	-1456.785517
HF Energy	-1456.784388
Nuclear repulsion energy	317.835830

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3279	3116	13.69
2	A'	1690	1606	12.08
3	A'	1297	1233	9.77
4	A'	967	919	113.02
5	A'	877	833	118.03
6	A'	652	619	13.87
7	A'	399	379	0.11
8	A'	285	271	0.35
9	A'	174	166	0.90
10	A"	818	777	30.60
11	A"	484	460	4.07
12	A"	210	200	0.53

Atom	x (Å)	y (Å)
C1	-1.030	-0.408
C2	0.000	0.441
H3	-2.049	-0.040
Cl4	-0.872	-2.113
Cl5	-0.288	2.141
Cl6	1.644	-0.038

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3351	1.0831	1.7114	2.6555	2.7000
C2	1.3351		2.1046	2.6983	1.7245	1.7124
H3	1.0831	2.1046		2.3829	2.8036	3.6930
Cl4	1.7114	2.6983	2.3829		4.2937	3.2616
Cl5	2.6555	1.7245	2.8036	4.2937		2.9119
Cl6	2.7000	1.7124	3.6930	3.2616	2.9119

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	119.898	C1	C2	Cl6	124.272
C2	C1	H3	120.630	C2	C1	Cl4	124.209
H3	C1	Cl4	115.162	Cl5	C2	Cl6	115.830

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: PBE1PBE/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	-0.272
2	C	-0.217
3	H	0.252
4	Cl	0.058
5	Cl	0.078
6	Cl	0.101

	x	y	z	Total
	-0.917	0.244	0.000	0.949
CHELPG
AIM
ESP

	x	y	z
x	8.076	0.785	0.000
y	0.785	10.780	0.000
z	0.000	0.000	3.441

<r²>	256.969
(<r²>)^1/2	16.030

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: PBE1PBE/6-31G*

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)