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	hartrees
Energy at 0K	-1457.394300
Energy at 298.15K	-1457.395350
HF Energy	-1457.394300
Nuclear repulsion energy	317.358114

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3239	3126	12.36
2	A'	1641	1583	11.22
3	A'	1261	1216	9.79
4	A'	921	889	106.53
5	A'	847	818	116.43
6	A'	634	611	14.65
7	A'	387	373	0.06
8	A'	271	262	0.35
9	A'	164	159	0.95
10	A"	803	775	22.48
11	A"	466	450	2.39
12	A"	206	199	0.63

Atom	x (Å)	y (Å)
C1	-1.057	-0.372
C2	0.000	0.449
H3	-2.060	0.016
Cl4	-0.891	-2.085
Cl5	-0.248	2.155
Cl6	1.634	-0.098

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3381	1.0763	1.7209	2.6535	2.7043
C2	1.3381		2.1051	2.6864	1.7242	1.7229
H3	1.0763	2.1051		2.4047	2.8031	3.6958
Cl4	1.7209	2.6864	2.4047		4.2889	3.2135
Cl5	2.6535	1.7242	2.8031	4.2889		2.9358
Cl6	2.7043	1.7229	3.6958	3.2135	2.9358

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	119.575	C1	C2	Cl6	123.638
C2	C1	H3	120.978	C2	C1	Cl4	122.351
H3	C1	Cl4	116.671	Cl5	C2	Cl6	116.787

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: TPSSh/6-31G(2df,p)

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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All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)