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	hartrees
Energy at 0K	-1457.603213
Energy at 298.15K	-1457.604357
Nuclear repulsion energy	319.686492

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3258	3118	13.59
2	A'	1676	1604	12.43
3	A'	1266	1211	9.28
4	A'	949	909	105.09
5	A'	867	830	108.13
6	A'	648	620	13.32
7	A'	394	377	0.05
8	A'	277	265	0.26
9	A'	176	169	0.92
10	A"	821	786	24.41
11	A"	483	462	3.87
12	A"	211	202	0.39

Atom	x (Å)	y (Å)
C1	-1.037	-0.386
C2	0.000	0.439
H3	-2.045	-0.008
Cl4	-0.890	-2.086
Cl5	-0.250	2.138
Cl6	1.627	-0.070

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3251	1.0761	1.7065	2.6440	2.6823
C2	1.3251		2.0929	2.6776	1.7176	1.7047
H3	1.0761	2.0929		2.3770	2.7977	3.6719
Cl4	1.7065	2.6776	2.3770		4.2727	3.2247
Cl5	2.6440	1.7176	2.7977	4.2727		2.8986
Cl6	2.6823	1.7047	3.6719	3.2247	2.8986

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.129	C1	C2	Cl6	124.099
C2	C1	H3	120.941	C2	C1	Cl4	123.581
H3	C1	Cl4	115.478	Cl5	C2	Cl6	115.771

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: B1B95/cc-pVTZ

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	-0.103
2	C	0.031
3	H	0.188
4	Cl	-0.047
5	Cl	-0.042
6	Cl	-0.026

	x	y	z	Total
	-0.810	0.276	0.000	0.855
CHELPG
AIM
ESP

	x	y	z
x	9.212	0.814	0.000
y	0.814	11.924	0.000
z	0.000	0.000	4.903

<r²>	254.028
(<r²>)^1/2	15.938

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: B1B95/cc-pVTZ

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)