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	hartrees
Energy at 0K	-1441.371892
Energy at 298.15K	-1441.372624
Nuclear repulsion energy	306.996577

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3455	3083	53.87
2	A'	1752	1563	5.22
3	A'	1307	1166	18.86
4	A'	1011	902	83.91
5	A'	896	800	66.94
6	A'	638	569	15.94
7	A'	382	341	0.18
8	A'	256	228	1.85
9	A'	154	138	1.47
10	A"	825	736	17.07
11	A"	440	393	0.02
12	A"	201	179	4.12

Atom	x (Å)	y (Å)
C1	-1.084	-0.353
C2	0.000	0.451
H3	-2.110	0.049
Cl4	-0.977	-2.138
Cl5	-0.208	2.240
Cl6	1.692	-0.139

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3498	1.1010	1.7878	2.7372	2.7844
C2	1.3498		2.1475	2.7665	1.8014	1.7917
H3	1.1010	2.1475		2.4621	2.9015	3.8060
Cl4	1.7878	2.7665	2.4621		4.4447	3.3342
Cl5	2.7372	1.8014	2.9015	4.4447		3.0445
Cl6	2.7844	1.7917	3.8060	3.3342	3.0445

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	119.919	C1	C2	Cl6	124.235
C2	C1	H3	122.058	C2	C1	Cl4	123.103
H3	C1	Cl4	114.839	Cl5	C2	Cl6	115.846

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: B3LYP/STO-3G

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	-0.042
2	C	0.048
3	H	0.139
4	Cl	-0.060
5	Cl	-0.049
6	Cl	-0.037

	x	y	z	Total
	-1.325	0.432	0.000	1.394
CHELPG
AIM
ESP

	x	y	z
x	4.606	0.434	0.000
y	0.434	6.906	0.000
z	0.000	0.000	0.584

<r²>	271.601
(<r²>)^1/2	16.480

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: B3LYP/STO-3G

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)