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	hartrees
Energy at 0K	-1450.565844
Energy at 298.15K	-1450.566981
HF Energy	-1450.565844
Nuclear repulsion energy	317.321618

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3250	3079	17.51
2	A'	1692	1602	8.81
3	A'	1338	1268	5.74
4	A'	926	877	81.72
5	A'	844	800	108.88
6	A'	637	604	13.39
7	A'	394	373	0.26
8	A'	280	265	0.37
9	A'	183	174	0.98
10	A"	895	848	38.23
11	A"	490	465	6.95
12	A"	203	192	0.44

Atom	x (Å)	y (Å)
C1	-1.053	-0.368
C2	0.000	0.442
H3	-2.059	0.025
Cl4	-0.927	-2.086
Cl5	-0.213	2.162
Cl6	1.633	-0.104

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3281	1.0802	1.7230	2.6655	2.6989
C2	1.3281		2.1009	2.6926	1.7335	1.7221
H3	1.0802	2.1009		2.3956	2.8237	3.6945
Cl4	1.7230	2.6926	2.3956		4.3078	3.2375
Cl5	2.6655	1.7335	2.8237	4.3078		2.9236
Cl6	2.6989	1.7221	3.6945	3.2375	2.9236

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.487	C1	C2	Cl6	123.945
C2	C1	H3	121.115	C2	C1	Cl4	123.372
H3	C1	Cl4	115.513	Cl5	C2	Cl6	115.568

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: M06-2X/3-21G*

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	-0.294
2	C	-0.296
3	H	0.290
4	Cl	0.074
5	Cl	0.103
6	Cl	0.123

	x	y	z	Total
	-1.010	0.261	0.000	1.043
CHELPG
AIM
ESP

	x	y	z
x	7.729	0.828	0.000
y	0.828	10.383	0.000
z	0.000	0.000	3.005

<r²>	257.784
(<r²>)^1/2	16.056

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: M06-2X/3-21G*

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)