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	hartrees
Energy at 0K	-1456.670062
Energy at 298.15K	-1456.671036
HF Energy	-1456.670062
Nuclear repulsion energy	314.935532

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3181	3128	12.12
2	A'	1605	1579	13.28
3	A'	1247	1226	9.14
4	A'	906	891	113.42
5	A'	831	817	131.19
6	A'	621	611	14.94
7	A'	381	375	0.20
8	A'	274	269	0.30
9	A'	168	165	0.81
10	A"	754	742	30.19
11	A"	454	446	3.41
12	A"	199	196	0.36

Atom	x (Å)	y (Å)
C1	-1.038	-0.417
C2	0.000	0.444
H3	-2.066	-0.052
Cl4	-0.872	-2.135
Cl5	-0.301	2.159
Cl6	1.661	-0.031

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3485	1.0913	1.7260	2.6790	2.7260
C2	1.3485		2.1249	2.7226	1.7408	1.7275
H3	1.0913	2.1249		2.4011	2.8289	3.7270
Cl4	1.7260	2.7226	2.4011		4.3316	3.2927
Cl5	2.6790	1.7408	2.8289	4.3316		2.9402
Cl6	2.7260	1.7275	3.7270	3.2927	2.9402

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	119.724	C1	C2	Cl6	124.346
C2	C1	H3	120.776	C2	C1	Cl4	124.176
H3	C1	Cl4	115.048	Cl5	C2	Cl6	115.931

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: PBEPBEultrafine/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	-0.253
2	C	-0.202
3	H	0.228
4	Cl	0.058
5	Cl	0.073
6	Cl	0.097

	x	y	z	Total
	-0.849	0.226	0.000	0.879
CHELPG
AIM
ESP

	x	y	z
x	8.372	0.732	0.002
y	0.732	11.347	-0.000
z	0.002	-0.000	3.476

<r²>	261.085
(<r²>)^1/2	16.158

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)