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	hartrees
Energy at 0K	-1457.510084
Energy at 298.15K	-1457.511154
Nuclear repulsion energy	316.580228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3230	3122	12.80
2	A'	1642	1587	12.05
3	A'	1271	1229	9.09
4	A'	909	879	94.77
5	A'	826	798	118.58
6	A'	626	605	14.89
7	A'	384	371	0.10
8	A'	275	265	0.26
9	A'	170	165	0.82
10	A"	814	787	24.11
11	A"	474	458	3.80
12	A"	205	198	0.40

Atom	x (Å)	y (Å)
C1	-1.035	-0.394
C2	0.000	0.439
H3	-2.046	-0.020
Cl4	-0.899	-2.112
Cl5	-0.265	2.154
Cl6	1.650	-0.057

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3283	1.0775	1.7239	2.6620	2.7056
C2	1.3283		2.0964	2.7048	1.7361	1.7223
H3	1.0775	2.0964		2.3859	2.8105	3.6953
Cl4	1.7239	2.7048	2.3859		4.3137	3.2742
Cl5	2.6620	1.7361	2.8105	4.3137		2.9248
Cl6	2.7056	1.7223	3.6953	3.2742	2.9248

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.031	C1	C2	Cl6	124.470
C2	C1	H3	120.891	C2	C1	Cl4	124.286
H3	C1	Cl4	114.823	Cl5	C2	Cl6	115.499

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: B3LYP/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	ESP
1	C	-0.077	-0.086
2	C	0.042	-0.027
3	H	0.171	0.164
4	Cl	-0.053	-0.041
5	Cl	-0.050	-0.020
6	Cl	-0.034	0.011

	x	y	z	Total
	-0.808	0.266	0.000	0.851
CHELPG
AIM
ESP	-0.889	0.296	0.000	0.937

	x	y	z
x	9.356	0.813	-0.000
y	0.813	12.174	-0.000
z	-0.000	-0.000	4.924

<r²>	259.043
(<r²>)^1/2	16.095

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: B3LYP/cc-pVTZ

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)