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	hartrees
Energy at 0K	-1449.615518
Energy at 298.15K	-1449.616334
Nuclear repulsion energy	307.317646

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3211	3182	16.48
2	A'	1638	1623	13.32
3	A'	1230	1219	8.57
4	A'	826	819	115.06
5	A'	743	736	112.89
6	A'	567	562	18.57
7	A'	350	346	0.15
8	A'	247	245	0.49
9	A'	160	159	1.23
10	A"	791	784	47.85
11	A"	437	433	7.35
12	A"	189	187	0.68

Atom	x (Å)	y (Å)
C1	-1.099	-0.306
C2	0.000	0.444
H3	-2.106	0.105
Cl4	-1.029	-2.112
Cl5	-0.134	2.248
Cl6	1.675	-0.191

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3306	1.0875	1.8066	2.7310	2.7760
C2	1.3306		2.1326	2.7545	1.8098	1.7909
H3	1.0875	2.1326		2.4646	2.9121	3.7918
Cl4	1.8066	2.7545	2.4646		4.4509	3.3158
Cl5	2.7310	1.8098	2.9121	4.4509		3.0371
Cl6	2.7760	1.7909	3.7918	3.3158	3.0371

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.061	C1	C2	Cl6	124.921
C2	C1	H3	123.445	C2	C1	Cl4	122.079
H3	C1	Cl4	114.476	Cl5	C2	Cl6	115.018

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: PBEPBE/3-21G

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	-0.366
2	C	-0.484
3	H	0.297
4	Cl	0.145
5	Cl	0.186
6	Cl	0.222

	x	y	z	Total
	-1.109	0.390	0.000	1.176
CHELPG
AIM
ESP

	x	y	z
x	7.654	0.618	0.000
y	0.618	11.062	0.000
z	0.000	0.000	2.156

<r²>	272.665
(<r²>)^1/2	16.513

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: PBEPBE/3-21G

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)