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	hartrees
Energy at 0K	-1457.462906
Energy at 298.15K	-1457.464035
Nuclear repulsion energy	317.907807

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3260	3112	11.09
2	A'	1678	1602	12.48
3	A'	1295	1236	10.45
4	A'	950	907	118.83
5	A'	862	823	129.02
6	A'	645	616	14.14
7	A'	396	378	0.24
8	A'	286	273	0.33
9	A'	175	167	0.88
10	A"	811	774	34.39
11	A"	482	460	7.37
12	A"	208	198	0.23

Atom	x (Å)	y (Å)
C1	-1.028	-0.404
C2	0.000	0.439
H3	-2.044	-0.039
Cl4	-0.879	-2.111
Cl5	-0.282	2.141
Cl6	1.644	-0.040

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3296	1.0798	1.7132	2.6524	2.6969
C2	1.3296		2.0991	2.6976	1.7251	1.7127
H3	1.0798	2.0991		2.3770	2.8028	3.6883
Cl4	1.7132	2.6976	2.3770		4.2939	3.2648
Cl5	2.6524	1.7251	2.8028	4.2939		2.9100
Cl6	2.6969	1.7127	3.6883	3.2648	2.9100

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	119.961	C1	C2	Cl6	124.382
C2	C1	H3	120.843	C2	C1	Cl4	124.404
H3	C1	Cl4	114.753	Cl5	C2	Cl6	115.657

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: mPW1PW91/6-311G*

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	-0.238
2	C	-0.184
3	H	0.309
4	Cl	0.013
5	Cl	0.039
6	Cl	0.060

	x	y	z	Total
	-0.909	0.241	0.000	0.940
CHELPG
AIM
ESP

<r²>	257.470
(<r²>)^1/2	16.046

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: mPW1PW91/6-311G*

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)