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	hartrees
Energy at 0K	-1456.671532
Energy at 298.15K	-1456.672518
Nuclear repulsion energy	314.934148

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3178	3135	13.10
2	A'	1606	1584	13.46
3	A'	1235	1218	9.01
4	A'	903	891	113.29
5	A'	829	817	131.00
6	A'	620	611	15.11
7	A'	380	375	0.20
8	A'	274	270	0.29
9	A'	167	165	0.80
10	A"	756	745	29.27
11	A"	454	448	3.45
12	A"	200	197	0.38

Atom	x (Å)	y (Å)
C1	-1.038	-0.415
C2	0.000	0.444
H3	-2.066	-0.049
Cl4	-0.875	-2.134
Cl5	-0.297	2.160
Cl6	1.660	-0.034

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3480	1.0907	1.7262	2.6797	2.7254
C2	1.3480		2.1240	2.7225	1.7411	1.7278
H3	1.0907	2.1240		2.4006	2.8299	3.7261
Cl4	1.7262	2.7225	2.4006		4.3323	3.2919
Cl5	2.6797	1.7411	2.8299	4.3323		2.9403
Cl6	2.7254	1.7278	3.7261	3.2919	2.9403

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	119.791	C1	C2	Cl6	124.304
C2	C1	H3	120.771	C2	C1	Cl4	124.195
H3	C1	Cl4	115.034	Cl5	C2	Cl6	115.905

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	-0.201
2	C	-0.213
3	H	0.188
4	Cl	0.056
5	Cl	0.074
6	Cl	0.097

	x	y	z	Total
	-0.849	0.231	0.000	0.879
CHELPG
AIM
ESP

	x	y	z
x	8.394	0.737	0.000
y	0.737	11.351	0.000
z	0.000	0.000	3.486

<r²>	261.094
(<r²>)^1/2	16.158

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)