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	hartrees
Energy at 0K	-1457.367237
Energy at 298.15K	-1457.368298
Nuclear repulsion energy	315.232173

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3251	3123	13.30
2	A'	1660	1595	12.03
3	A'	1282	1232	9.89
4	A'	923	887	105.99
5	A'	835	802	125.15
6	A'	628	604	15.80
7	A'	386	371	0.12
8	A'	279	268	0.34
9	A'	173	166	0.91
10	A"	807	775	27.00
11	A"	471	452	3.22
12	A"	205	197	0.68

Atom	x (Å)	y (Å)
C1	-1.036	-0.403
C2	0.000	0.441
H3	-2.053	-0.033
Cl4	-0.892	-2.126
Cl5	-0.281	2.160
Cl6	1.660	-0.045

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3360	1.0820	1.7291	2.6719	2.7190
C2	1.3360		2.1066	2.7174	1.7423	1.7291
H3	1.0820	2.1066		2.3933	2.8192	3.7121
Cl4	1.7291	2.7174	2.3933		4.3296	3.2927
Cl5	2.6719	1.7423	2.8192	4.3296		2.9375
Cl6	2.7190	1.7291	3.7121	3.2927	2.9375

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	119.873	C1	C2	Cl6	124.524
C2	C1	H3	120.841	C2	C1	Cl4	124.392
H3	C1	Cl4	114.767	Cl5	C2	Cl6	115.603

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

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

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	-0.172
2	C	-0.172
3	H	0.178
4	Cl	0.036
5	Cl	0.054
6	Cl	0.077

	x	y	z	Total
	-0.916	0.252	0.000	0.950
CHELPG
AIM
ESP

	x	y	z
x	8.190	0.777	0.000
y	0.777	10.943	0.000
z	0.000	0.000	3.448

<r²>	260.875
(<r²>)^1/2	16.152

All results from a given calculation for CHClCCl2 (Trichloroethylene)

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

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)