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	hartrees
Energy at 0K	-1454.862059
Energy at 298.15K	-1454.863381
HF Energy	-1454.862059
Nuclear repulsion energy	318.759610

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3391	3067	14.53
2	A'	1814	1641	9.06
3	A'	1389	1257	11.84
4	A'	1021	923	90.96
5	A'	900	814	107.97
6	A'	677	612	13.91
7	A'	415	375	0.01
8	A'	296	268	0.34
9	A'	186	168	1.00
10	A"	948	857	22.04
11	A"	528	478	4.10
12	A"	227	205	0.90

Atom	x (Å)	y (Å)
C1	-1.025	-0.384
C2	0.000	0.432
H3	-2.024	-0.004
Cl4	-0.907	-2.096
Cl5	-0.253	2.138
Cl6	1.641	-0.059

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3099	1.0683	1.7162	2.6374	2.6858
C2	1.3099		2.0701	2.6853	1.7251	1.7126
H3	1.0683	2.0701		2.3712	2.7792	3.6651
Cl4	1.7162	2.6853	2.3712		4.2841	3.2620
Cl5	2.6374	1.7251	2.7792	4.2841		2.9006
Cl6	2.6858	1.7126	3.6651	3.2620	2.9006

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.059	C1	C2	Cl6	124.864
C2	C1	H3	120.686	C2	C1	Cl4	124.542
H3	C1	Cl4	114.771	Cl5	C2	Cl6	115.077

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: HF/daug-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	-0.479
2	C	0.754
3	H	0.837
4	Cl	-0.392
5	Cl	-0.415
6	Cl	-0.306

	x	y	z	Total
	-0.974	0.288	0.000	1.016
CHELPG
AIM
ESP

	x	y	z
x	10.140	1.082	0.000
y	1.082	12.393	0.000
z	0.000	0.000	6.609

<r²>	256.426
(<r²>)^1/2	16.013

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)