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	hartrees
Energy at 0K	-120.325448
Energy at 298.15K	-120.326618
Nuclear repulsion energy	107.091793

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3472	3125	14.74
2	A'	1834	1650	9.05
3	A'	1398	1258	14.49
4	A'	953	858	86.74
5	A'	830	747	107.86
6	A'	628	565	20.72
7	A'	390	351	0.00
8	A'	283	255	1.06
9	A'	178	160	2.05
10	A"	960	864	42.47
11	A"	503	453	7.44
12	A"	218	196	2.81

Atom	x (Å)	y (Å)
C1	-0.744	-0.638
C2	0.000	0.449
H3	-1.811	-0.599
Cl4	-0.100	-2.292
Cl5	-0.771	2.057
Cl6	1.768	0.481

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3174	1.0675	1.7750	2.6954	2.7497
C2	1.3174		2.0926	2.7429	1.7835	1.7679
H3	1.0675	2.0926		2.4067	2.8529	3.7381
Cl4	1.7750	2.7429	2.4067		4.4007	3.3432
Cl5	2.6954	1.7835	2.8529	4.4007		2.9884
Cl6	2.7497	1.7679	3.7381	3.3432	2.9884

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	119.987	C1	C2	Cl6	125.422
C2	C1	H3	122.325	C2	C1	Cl4	124.332
H3	C1	Cl4	113.343	Cl5	C2	Cl6	114.591

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: HF/LANL2DZ

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	-0.164
2	C	-0.106
3	H	0.279
4	Cl	-0.027
5	Cl	0.002
6	Cl	0.016

	x	y	z	Total
	-1.613	-0.054	0.000	1.614
CHELPG
AIM
ESP

	x	y	z
x	6.735	-0.340	0.000
y	-0.340	9.756	0.000
z	0.000	0.000	1.856

<r²>	135.313
(<r²>)^1/2	11.632

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: HF/LANL2DZ

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)