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	hartrees
Energy at 0K	-1457.369170
Energy at 298.15K	-1457.370079
Nuclear repulsion energy	311.632040

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3161	3155	13.00
2	A'	1574	1571	12.39
3	A'	1215	1212	8.92
4	A'	854	853	93.57
5	A'	780	778	130.67
6	A'	595	594	15.40
7	A'	365	364	0.23
8	A'	264	264	0.20
9	A'	163	162	0.73
10	A"	753	752	22.35
11	A"	442	441	3.70
12	A"	194	193	0.35

Atom	x (Å)	y (Å)
C1	-1.052	-0.403
C2	0.000	0.442
H3	-2.082	-0.035
Cl4	-0.906	-2.149
Cl5	-0.278	2.186
Cl6	1.677	-0.049

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3494	1.0934	1.7524	2.7021	2.7518
C2	1.3494		2.1358	2.7453	1.7655	1.7477
H3	1.0934	2.1358		2.4187	2.8617	3.7588
Cl4	1.7524	2.7453	2.4187		4.3804	3.3290
Cl5	2.7021	1.7655	2.8617	4.3804		2.9692
Cl6	2.7518	1.7477	3.7588	3.3290	2.9692

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	119.739	C1	C2	Cl6	124.883
C2	C1	H3	121.580	C2	C1	Cl4	124.008
H3	C1	Cl4	114.412	Cl5	C2	Cl6	115.378

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: BLYP/aug-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	0.601
2	C	0.158
3	H	-0.505
4	Cl	-0.090
5	Cl	-0.107
6	Cl	-0.056

	x	y	z	Total
	-0.794	0.258	0.000	0.835
CHELPG
AIM
ESP

	x	y	z
x	11.088	0.948	0.000
y	0.948	14.058	0.000
z	0.000	0.000	6.915

<r²>	266.758
(<r²>)^1/2	16.333

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)