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	hartrees
Energy at 0K	-1454.613001
Energy at 298.15K	-1454.614256
Nuclear repulsion energy	310.555893

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3467	3130	16.69
2	A'	1867	1686	5.35
3	A'	1411	1274	14.04
4	A'	968	874	89.62
5	A'	840	758	97.75
6	A'	641	579	15.27
7	A'	397	358	0.01
8	A'	284	257	0.93
9	A'	182	164	1.82
10	A"	1020	921	42.23
11	A"	543	491	8.39
12	A"	224	202	2.38

Atom	x (Å)	y (Å)
C1	-1.055	-0.342
C2	0.000	0.432
H3	-2.045	0.053
Cl4	-0.999	-2.119
Cl5	-0.189	2.207
Cl6	1.681	-0.123

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3085	1.0665	1.7776	2.6926	2.7443
C2	1.3085		2.0802	2.7401	1.7851	1.7705
H3	1.0665	2.0802		2.4102	2.8441	3.7304
Cl4	1.7776	2.7401	2.4102		4.4016	3.3417
Cl5	2.6926	1.7851	2.8441	4.4016		2.9884
Cl6	2.7443	1.7705	3.7304	3.3417	2.9884

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.220	C1	C2	Cl6	125.402
C2	C1	H3	121.972	C2	C1	Cl4	124.524
H3	C1	Cl4	113.503	Cl5	C2	Cl6	114.378

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: HF/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	CHELPG
1	C	-0.305	-0.041
2	C	-0.432	0.160
3	H	0.277	0.180
4	Cl	0.117	-0.111
5	Cl	0.154	-0.116
6	Cl	0.190	-0.072

	x	y	z	Total
	-1.431	0.406	0.000	1.487
CHELPG	-1.499	0.388	0.000	1.549
AIM
ESP

	x	y	z
x	7.569	0.828	0.000
y	0.828	10.438	0.000
z	0.000	0.000	2.384

<r²>	269.335
(<r²>)^1/2	16.411

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: HF/6-31G

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)