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	hartrees
Energy at 0K	-1457.452321
Energy at 298.15K	-1457.453437
Nuclear repulsion energy	317.337710

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3265	3129	15.60
2	A'	1681	1611	11.57
3	A'	1257	1204	9.14
4	A'	949	909	102.00
5	A'	865	829	108.23
6	A'	646	619	12.44
7	A'	393	377	0.06
8	A'	279	267	0.25
9	A'	170	163	0.80
10	A"	807	773	23.11
11	A"	472	452	4.08
12	A"	207	198	0.40

Atom	x (Å)	y (Å)
C1	-1.041	-0.396
C2	0.000	0.440
H3	-2.060	-0.021
Cl4	-0.891	-2.107
Cl5	-0.264	2.149
Cl6	1.643	-0.056

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3354	1.0862	1.7175	2.6613	2.7052
C2	1.3354		2.1113	2.6986	1.7290	1.7162
H3	1.0862	2.1113		2.3916	2.8174	3.7033
Cl4	1.7175	2.6986	2.3916		4.3021	3.2597
Cl5	2.6613	1.7290	2.8174	4.3021		2.9149
Cl6	2.7052	1.7162	3.7033	3.2597	2.9149

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.015	C1	C2	Cl6	124.406
C2	C1	H3	121.013	C2	C1	Cl4	123.764
H3	C1	Cl4	115.223	Cl5	C2	Cl6	115.579

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: mPW1PW91/aug-cc-pVDZ

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	0.447
2	C	0.184
3	H	-0.264
4	Cl	-0.128
5	Cl	-0.152
6	Cl	-0.088

	x	y	z	Total
	-0.845	0.272	0.000	0.888
CHELPG
AIM
ESP

	x	y	z
x	10.406	0.964	0.000
y	0.964	13.017	0.000
z	0.000	0.000	6.627

<r²>	257.758
(<r²>)^1/2	16.055

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)