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	hartrees
Energy at 0K	-1457.365681
Energy at 298.15K	-1457.366730
Nuclear repulsion energy	315.214363

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3256	3126	12.19
2	A'	1660	1594	11.82
3	A'	1293	1242	10.04
4	A'	924	888	105.28
5	A'	836	803	125.98
6	A'	629	604	15.78
7	A'	386	371	0.13
8	A'	279	268	0.35
9	A'	173	166	0.91
10	A"	808	776	27.75
11	A"	470	452	3.15
12	A"	205	197	0.66

Atom	x (Å)	y (Å)
C1	-1.035	-0.405
C2	0.000	0.441
H3	-2.053	-0.037
Cl4	-0.889	-2.128
Cl5	-0.285	2.160
Cl6	1.660	-0.043

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3364	1.0826	1.7287	2.6721	2.7187
C2	1.3364		2.1075	2.7179	1.7425	1.7289
H3	1.0826	2.1075		2.3928	2.8195	3.7125
Cl4	1.7287	2.7179	2.3928		4.3297	3.2928
Cl5	2.6721	1.7425	2.8195	4.3297		2.9384
Cl6	2.7187	1.7289	3.7125	3.2928	2.9384

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	119.854	C1	C2	Cl6	124.489
C2	C1	H3	120.845	C2	C1	Cl4	124.434
H3	C1	Cl4	114.720	Cl5	C2	Cl6	115.657

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: B3LYP/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	AIM	ESP
1	C	-0.227	-0.057	0.125	-0.089
2	C	-0.161	0.052	0.164	-0.031
3	H	0.221	0.146	0.125	0.174
4	Cl	0.038	-0.063	-0.158	-0.041
5	Cl	0.053	-0.056	-0.136	-0.021
6	Cl	0.077	-0.022	-0.120	0.009

	x	y	Total
	-0.917	0.246	0.949
CHELPG	-0.989	0.264	1.023
AIM	0.398	-0.024	0.399
ESP	-0.994	0.279	1.033

	x	y	z
x	8.172	0.779	0.000
y	0.779	10.952	-0.000
z	0.000	-0.000	3.436

<r²>	260.908
(<r²>)^1/2	16.153

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: B3LYP/6-31G*

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)