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	hartrees
Energy at 0K	-1457.373174
Energy at 298.15K	-1457.374232
Nuclear repulsion energy	315.130619

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3248	3131	13.26
2	A'	1649	1590	12.54
3	A'	1281	1235	10.60
4	A'	919	887	108.31
5	A'	831	801	130.17
6	A'	627	604	15.32
7	A'	385	371	0.14
8	A'	279	269	0.28
9	A'	172	166	0.86
10	A"	804	776	27.85
11	A"	470	453	4.78
12	A"	203	196	0.39

Atom	x (Å)	y (Å)
C1	-1.037	-0.403
C2	0.000	0.442
H3	-2.054	-0.035
Cl4	-0.892	-2.127
Cl5	-0.281	2.161
Cl6	1.659	-0.045

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3374	1.0823	1.7300	2.6737	2.7197
C2	1.3374		2.1090	2.7194	1.7423	1.7291
H3	1.0823	2.1090		2.3933	2.8232	3.7137
Cl4	1.7300	2.7194	2.3933		4.3319	3.2933
Cl5	2.6737	1.7423	2.8232	4.3319		2.9376
Cl6	2.7197	1.7291	3.7137	3.2933	2.9376

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	119.918	C1	C2	Cl6	124.476
C2	C1	H3	120.928	C2	C1	Cl4	124.389
H3	C1	Cl4	114.683	Cl5	C2	Cl6	115.606

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: B3LYP/6-31+G**

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	-0.530	-0.090
2	C	0.005	-0.013
3	H	0.203	0.174
4	Cl	0.069	-0.046
5	Cl	0.099	-0.029
6	Cl	0.153	0.005

	x	y	z	Total
	-0.905	0.255	0.000	0.940
CHELPG
AIM
ESP	-0.990	0.286	0.000	1.031

	x	y	z
x	9.379	0.883	0.004
y	0.883	12.032	-0.003
z	0.004	-0.003	5.199

<r²>	261.559
(<r²>)^1/2	16.173

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: B3LYP/6-31+G**

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)