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	hartrees
Energy at 0K	-1456.670057
Energy at 298.15K	-1456.671031
Nuclear repulsion energy	314.914218

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3181	3135	12.08
2	A'	1607	1584	13.20
3	A'	1247	1229	9.01
4	A'	905	892	112.79
5	A'	829	818	131.64
6	A'	620	611	15.12
7	A'	381	375	0.20
8	A'	274	270	0.29
9	A'	168	165	0.81
10	A"	756	745	30.23
11	A"	454	447	3.36
12	A"	200	197	0.36

Atom	x (Å)	y (Å)
C1	-1.038	-0.416
C2	0.000	0.445
H3	-2.066	-0.051
Cl4	-0.873	-2.134
Cl5	-0.299	2.160
Cl6	1.661	-0.032

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3482	1.0914	1.7261	2.6796	2.7254
C2	1.3482		2.1251	2.7229	1.7411	1.7277
H3	1.0914	2.1251		2.4003	2.8306	3.7270
Cl4	1.7261	2.7229	2.4003		4.3324	3.2924
Cl5	2.6796	1.7411	2.8306	4.3324		2.9406
Cl6	2.7254	1.7277	3.7270	3.2924	2.9406

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	119.776	C1	C2	Cl6	124.298
C2	C1	H3	120.809	C2	C1	Cl4	124.217
H3	C1	Cl4	114.974	Cl5	C2	Cl6	115.927

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: PBEPBE/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	-0.253
2	C	-0.202
3	H	0.228
4	Cl	0.058
5	Cl	0.073
6	Cl	0.096

	x	y	z	Total
	-0.851	0.227	0.000	0.881
CHELPG
AIM
ESP

	x	y	z
x	8.372	0.734	0.000
y	0.734	11.347	0.000
z	0.000	0.000	3.475

<r²>	261.127
(<r²>)^1/2	16.159

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: PBEPBE/6-31G*

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)