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	hartrees
Energy at 0K	-1456.740890
Energy at 298.15K	-1456.741861
Nuclear repulsion energy	314.683314

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3163	3144	12.61
2	A'	1601	1592	15.05
3	A'	1196	1189	9.23
4	A'	897	892	109.78
5	A'	827	822	125.14
6	A'	617	614	15.49
7	A'	378	376	0.20
8	A'	271	269	0.24
9	A'	164	163	0.74
10	A"	742	738	25.16
11	A"	447	445	3.97
12	A"	198	197	0.15

Atom	x (Å)	y (Å)
C1	-1.047	-0.407
C2	0.000	0.446
H3	-2.078	-0.031
Cl4	-0.885	-2.129
Cl5	-0.281	2.166
Cl6	1.658	-0.048

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3507	1.0975	1.7289	2.6846	2.7288
C2	1.3507		2.1323	2.7222	1.7427	1.7299
H3	1.0975	2.1323		2.4131	2.8384	3.7361
Cl4	1.7289	2.7222	2.4131		4.3365	3.2853
Cl5	2.6846	1.7427	2.8384	4.3365		2.9429
Cl6	2.7288	1.7299	3.7361	3.2853	2.9429

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	119.887	C1	C2	Cl6	124.243
C2	C1	H3	120.794	C2	C1	Cl4	123.778
H3	C1	Cl4	115.428	Cl5	C2	Cl6	115.871

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: PBEPBE/cc-pVDZ

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	0.035
2	C	-0.148
3	H	0.072
4	Cl	-0.009
5	Cl	0.016
6	Cl	0.033

	x	y	z	Total
	-0.726	0.237	0.000	0.764
CHELPG
AIM
ESP

	x	y	z
x	8.451	0.638	0.000
y	0.638	11.397	0.000
z	0.000	0.000	3.410

<r²>	261.160
(<r²>)^1/2	16.160

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)