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	hartrees
Energy at 0K	-1456.796799
Energy at 298.15K	-1456.797892
HF Energy	-1456.580521
Nuclear repulsion energy	316.228139

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3285	3118	12.28
2	A'	1665	1581	10.36
3	A'	1310	1244	9.90
4	A'	954	905	103.87
5	A'	858	815	111.85
6	A'	640	608	13.88
7	A'	393	373	0.07
8	A'	283	268	0.38
9	A'	175	166	0.90
10	A"	813	771	28.44
11	A"	472	448	3.02
12	A"	208	197	0.67

Atom	x (Å)	y (Å)
C1	-1.035	-0.406
C2	0.000	0.442
H3	-2.051	-0.037
Cl4	-0.883	-2.121
Cl5	-0.284	2.153
Cl6	1.653	-0.042

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3375	1.0810	1.7224	2.6664	2.7123
C2	1.3375		2.1065	2.7108	1.7347	1.7225
H3	1.0810	2.1065		2.3890	2.8142	3.7043
Cl4	1.7224	2.7108	2.3890		4.3159	3.2791
Cl5	2.6664	1.7347	2.8142	4.3159		2.9280
Cl6	2.7123	1.7225	3.7043	3.2791	2.9280

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	119.877	C1	C2	Cl6	124.366
C2	C1	H3	120.775	C2	C1	Cl4	124.247
H3	C1	Cl4	114.977	Cl5	C2	Cl6	115.756

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: B2PLYP/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	-0.238
2	C	-0.175
3	H	0.242
4	Cl	0.036
5	Cl	0.056
6	Cl	0.079

	x	y	z
x	8.002	0.730	0.000
y	0.730	10.680	0.000
z	0.000	0.000	3.399

<r²>	259.610
(<r²>)^1/2	16.112

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)