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	hartrees
Energy at 0K	-1457.369848
Energy at 298.15K	-1457.370984
Nuclear repulsion energy	317.657989

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3278	3119	14.42
2	A'	1688	1606	12.38
3	A'	1290	1227	9.75
4	A'	961	915	112.39
5	A'	872	829	119.14
6	A'	649	618	14.14
7	A'	397	378	0.11
8	A'	285	271	0.35
9	A'	174	166	0.91
10	A"	819	779	29.70
11	A"	484	461	4.13
12	A"	210	200	0.57

Atom	x (Å)	y (Å)
C1	-1.031	-0.407
C2	0.000	0.440
H3	-2.047	-0.038
Cl4	-0.875	-2.113
Cl5	-0.286	2.142
Cl6	1.646	-0.039

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3342	1.0812	1.7130	2.6560	2.7013
C2	1.3342		2.1021	2.6991	1.7261	1.7138
H3	1.0812	2.1021		2.3828	2.8028	3.6924
Cl4	1.7130	2.6991	2.3828		4.2961	3.2646
Cl5	2.6560	1.7261	2.8028	4.2961		2.9135
Cl6	2.7013	1.7138	3.6924	3.2646	2.9135

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	119.886	C1	C2	Cl6	124.347
C2	C1	H3	120.626	C2	C1	Cl4	124.226
H3	C1	Cl4	115.148	Cl5	C2	Cl6	115.768

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: mPW1PW91/6-31G**

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	-0.216
2	C	-0.222
3	H	0.210
4	Cl	0.054
5	Cl	0.076
6	Cl	0.099

	x	y	z	Total
	-0.919	0.250	0.000	0.952
CHELPG
AIM
ESP

<r²>	257.189
(<r²>)^1/2	16.037

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: mPW1PW91/6-31G**

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)