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	hartrees
Energy at 0K	-55.470610
Energy at 298.15K	-55.471857
Nuclear repulsion energy	76.622664

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3411	3112	15.04
2	A'	1800	1643	7.91
3	A'	1388	1266	14.91
4	A'	977	891	96.87
5	A'	851	777	103.86
6	A'	640	584	14.83
7	A'	394	359	0.01
8	A'	283	258	0.87
9	A'	178	163	1.76
10	A"	974	889	44.30
11	A"	519	474	9.88
12	A"	220	200	1.92

Atom	x (Å)	y (Å)
C1	-0.864	-0.562
C2	0.000	0.442
H3	-1.922	-0.400
Cl4	-0.406	-2.282
Cl5	-0.592	2.130
Cl6	1.766	0.277

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3250	1.0701	1.7794	2.7058	2.7613
C2	1.3250		2.0985	2.7541	1.7884	1.7741
H3	1.0701	2.0985		2.4160	2.8585	3.7501
Cl4	1.7794	2.7541	2.4160		4.4155	3.3571
Cl5	2.7058	1.7884	2.8585	4.4155		2.9987
Cl6	2.7613	1.7741	3.7501	3.3571	2.9987

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	119.973	C1	C2	Cl6	125.380
C2	C1	H3	121.998	C2	C1	Cl4	124.384
H3	C1	Cl4	113.618	Cl5	C2	Cl6	114.648

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: HF/CEP-121G

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	-0.217
2	C	-0.288
3	H	0.258
4	Cl	0.035
5	Cl	0.086
6	Cl	0.127

	x	y	z	Total
	-1.487	0.118	0.000	1.492
CHELPG
AIM
ESP

	x	y	z
x	7.824	0.068	0.000
y	0.068	11.050	0.000
z	0.000	0.000	2.825

<r²>	133.625
(<r²>)^1/2	11.560

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)