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	hartrees
Energy at 0K	-1448.042946
Energy at 298.15K	-1448.043846
HF Energy	-1447.715111
Nuclear repulsion energy	304.805651

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3304	3154	12.22
2	A'	1671	1595	7.37
3	A'	1308	1248	9.57
4	A'	859	820	78.93
5	A'	745	711	70.28
6	A'	565	539	13.06
7	A'	350	334	0.01
8	A'	248	237	0.68
9	A'	165	158	1.23
10	A"	874	834	41.75
11	A"	460	439	5.51
12	A"	198	189	1.24

Atom	x (Å)	y (Å)
C1	-1.096	-0.302
C2	0.000	0.443
H3	-2.092	0.115
Cl4	-1.055	-2.125
Cl5	-0.129	2.266
Cl6	1.694	-0.198

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3257	1.0792	1.8233	2.7448	2.7921
C2	1.3257		2.1172	2.7765	1.8279	1.8111
H3	1.0792	2.1172		2.4683	2.9121	3.7984
Cl4	1.8233	2.7765	2.4683		4.4881	3.3572
Cl5	2.7448	1.8279	2.9121	4.4881		3.0653
Cl6	2.7921	1.8111	3.7984	3.3572	3.0653

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.166	C1	C2	Cl6	125.059
C2	C1	H3	123.039	C2	C1	Cl4	122.918
H3	C1	Cl4	114.043	Cl5	C2	Cl6	114.775

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: MP2/3-21G

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	ESP
1	C	-0.320	-0.091
2	C	-0.384	0.003
3	H	0.287	0.204
4	Cl	0.106	-0.065
5	Cl	0.141	-0.042
6	Cl	0.172	-0.009

	x	y	z	Total
	-1.212	0.425	0.000	1.284
CHELPG
AIM
ESP	-1.295	0.462	0.000	1.375

	x	y	z
x	7.056	0.392	0.000
y	0.392	10.284	0.000
z	0.000	0.000	1.998

<r²>	277.951
(<r²>)^1/2	16.672

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: MP2/3-21G

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)