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	hartrees
Energy at 0K	-1454.720948
Energy at 298.15K	-1454.722307
Nuclear repulsion energy	318.143295

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3423	3090	13.71
2	A'	1842	1662	8.80
3	A'	1410	1273	13.15
4	A'	1044	942	98.51
5	A'	916	827	113.64
6	A'	686	619	15.35
7	A'	421	380	0.02
8	A'	302	273	0.47
9	A'	189	171	1.19
10	A"	958	864	27.75
11	A"	536	484	4.22
12	A"	230	208	1.40

Atom	x (Å)	y (Å)
C1	-1.023	-0.393
C2	0.000	0.433
H3	-2.026	-0.017
Cl4	-0.899	-2.105
Cl5	-0.268	2.139
Cl6	1.647	-0.047

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3146	1.0705	1.7168	2.6418	2.6924
C2	1.3146		2.0751	2.6923	1.7268	1.7154
H3	1.0705	2.0751		2.3723	2.7820	3.6728
Cl4	1.7168	2.6923	2.3723		4.2905	3.2740
Cl5	2.6418	1.7268	2.7820	4.2905		2.9055
Cl6	2.6924	1.7154	3.6728	3.2740	2.9055

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	119.983	C1	C2	Cl6	124.870
C2	C1	H3	120.578	C2	C1	Cl4	124.754
H3	C1	Cl4	114.668	Cl5	C2	Cl6	115.148

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: HF/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	CHELPG
1	C	-0.192	-0.052
2	C	-0.202	0.091
3	H	0.218	0.160
4	Cl	0.032	-0.080
5	Cl	0.060	-0.077
6	Cl	0.084	-0.042

	x	y	z	Total
	-1.103	0.291	0.000	1.141
CHELPG
AIM
ESP

	x	y	z
x	7.817	0.941	0.000
y	0.941	10.149	0.000
z	0.000	0.000	3.382

<r²>	257.402
(<r²>)^1/2	16.044

All results from a given calculation for CHClCCl2 (Trichloroethylene)

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

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)