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	hartrees
Energy at 0K	-121.575595
Energy at 298.15K	-121.576471
Nuclear repulsion energy	105.807517

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3281	3153	12.85
2	A'	1661	1596	14.43
3	A'	1268	1219	9.00
4	A'	863	829	97.84
5	A'	769	739	111.56
6	A'	581	558	19.72
7	A'	359	346	0.11
8	A'	260	250	0.54
9	A'	160	154	1.35
10	A"	808	777	47.44
11	A"	441	424	7.16
12	A"	194	187	0.89

Atom	x (Å)	y (Å)
C1	-0.755	-0.649
C2	0.000	0.458
H3	-1.836	-0.618
Cl4	-0.087	-2.315
Cl5	-0.789	2.080
Cl6	1.785	0.487

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3402	1.0823	1.7941	2.7298	2.7822
C2	1.3402		2.1284	2.7742	1.8037	1.7853
H3	1.0823	2.1284		2.4371	2.8942	3.7862
Cl4	1.7941	2.7742	2.4371		4.4505	3.3696
Cl5	2.7298	1.8037	2.8942	4.4505		3.0271
Cl6	2.7822	1.7853	3.7862	3.3696	3.0271

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	119.800	C1	C2	Cl6	125.189
C2	C1	H3	122.593	C2	C1	Cl4	123.892
H3	C1	Cl4	113.515	Cl5	C2	Cl6	115.010

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: B3LYP/LANL2DZ

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	-0.216
2	C	-0.102
3	H	0.281
4	Cl	-0.006
5	Cl	0.015
6	Cl	0.029

	x	y	z	Total
	-1.246	-0.010	0.000	1.246
CHELPG
AIM
ESP

	x	y	z
x	7.123	-0.567	-0.000
y	-0.567	10.198	0.001
z	-0.000	0.001	2.010

<r²>	136.786
(<r²>)^1/2	11.696

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: B3LYP/LANL2DZ

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)