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	hartrees
Energy at 0K	-1454.861630
Energy at 298.15K	-1454.862968
Nuclear repulsion energy	318.750588

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3393	3089	14.64
2	A'	1814	1651	9.05
3	A'	1388	1264	11.88
4	A'	1021	929	90.97
5	A'	900	819	107.83
6	A'	677	616	13.87
7	A'	415	377	0.00
8	A'	296	270	0.34
9	A'	186	169	1.00
10	A"	945	861	22.12
11	A"	528	480	4.13
12	A"	227	207	0.90

Atom	x (Å)	y (Å)
C1	-1.025	-0.385
C2	0.000	0.431
H3	-2.023	-0.006
Cl4	-0.905	-2.097
Cl5	-0.256	2.137
Cl6	1.641	-0.057

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3100	1.0680	1.7163	2.6367	2.6864
C2	1.3100		2.0701	2.6852	1.7251	1.7126
H3	1.0680	2.0701		2.3712	2.7782	3.6653
Cl4	1.7163	2.6852	2.3712		4.2836	3.2628
Cl5	2.6367	1.7251	2.7782	4.2836		2.9008
Cl6	2.6864	1.7126	3.6653	3.2628	2.9008

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.004	C1	C2	Cl6	124.906
C2	C1	H3	120.703	C2	C1	Cl4	124.525
H3	C1	Cl4	114.771	Cl5	C2	Cl6	115.090

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: HF/aug-cc-pVTZ

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	-0.434
2	C	0.599
3	H	0.501
4	Cl	-0.210
5	Cl	-0.265
6	Cl	-0.190

	x	y	z	Total
	-0.973	0.287	0.000	1.015
CHELPG
AIM
ESP

	x	y	z
x	10.098	1.081	0.000
y	1.081	12.359	0.000
z	0.000	0.000	6.568

<r²>	256.442
(<r²>)^1/2	16.014

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: HF/aug-cc-pVTZ

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)