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	hartrees
Energy at 0K	-1454.813661
Energy at 298.15K	-1454.814992
HF Energy	-1454.813661
Nuclear repulsion energy	317.342353

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3403	3092	13.94
2	A'	1824	1657	10.96
3	A'	1396	1269	14.28
4	A'	1022	929	99.96
5	A'	896	814	119.53
6	A'	675	613	16.53
7	A'	414	376	0.01
8	A'	297	270	0.42
9	A'	186	169	1.15
10	A"	947	861	25.64
11	A"	525	477	5.27
12	A"	227	206	1.00

Atom	x (Å)	y (Å)
C1	-1.028	-0.378
C2	0.000	0.431
H3	-2.027	0.002
Cl4	-0.919	-2.101
Cl5	-0.249	2.148
Cl6	1.649	-0.066

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3086	1.0692	1.7263	2.6444	2.6957
C2	1.3086		2.0723	2.6941	1.7352	1.7227
H3	1.0692	2.0723		2.3774	2.7879	3.6774
Cl4	1.7263	2.6941	2.3774		4.3024	3.2771
Cl5	2.6444	1.7352	2.7879	4.3024		2.9164
Cl6	2.6957	1.7227	3.6774	3.2771	2.9164

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	119.990	C1	C2	Cl6	125.005
C2	C1	H3	120.941	C2	C1	Cl4	124.599
H3	C1	Cl4	114.460	Cl5	C2	Cl6	115.005

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: HF/TZVP

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	-0.023
2	C	0.024
3	H	0.184
4	Cl	-0.079
5	Cl	-0.064
6	Cl	-0.042

	x	y	z	Total
	-1.071	0.308	0.000	1.114
CHELPG
AIM
ESP

	x	y	z
x	8.281	0.853	0.000
y	0.853	10.563	0.000
z	0.000	0.000	4.362

<r²>	258.542
(<r²>)^1/2	16.079

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: HF/TZVP

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)