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	hartrees
Energy at 0K	-1454.839864
Energy at 298.15K	-1454.841205
HF Energy	-1454.839864
Nuclear repulsion energy	319.243203

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3392	3074	13.49
2	A'	1814	1645	10.49
3	A'	1393	1262	12.01
4	A'	1026	930	93.58
5	A'	903	819	111.50
6	A'	680	616	15.00
7	A'	417	378	0.01
8	A'	298	270	0.35
9	A'	187	169	1.01
10	A"	951	862	23.26
11	A"	532	482	4.30
12	A"	228	207	0.80

Atom	x (Å)	y (Å)
C1	-1.029	-0.361
C2	0.000	0.435
H3	-2.017	0.039
Cl4	-0.902	-2.071
Cl5	-0.247	2.131
Cl6	1.631	-0.088

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3010	1.0655	1.7152	2.6115	2.6740
C2	1.3010		2.0552	2.6638	1.7136	1.7126
H3	1.0655	2.0552		2.3867	2.7399	3.6498
Cl4	1.7152	2.6638	2.3867		4.2529	3.2172
Cl5	2.6115	1.7136	2.7399	4.2529		2.9065
Cl6	2.6740	1.7126	3.6498	3.2172	2.9065

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	119.432	C1	C2	Cl6	124.510
C2	C1	H3	120.235	C2	C1	Cl4	123.468
H3	C1	Cl4	116.297	Cl5	C2	Cl6	116.058

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: HF/Def2TZVPP

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	0.014
2	C	0.016
3	H	0.104
4	Cl	-0.057
5	Cl	-0.049
6	Cl	-0.029

	x	y	z	Total
	-0.954	0.292	0.000	0.998
CHELPG
AIM
ESP

	x	y	z
x	9.013	0.961	0.000
y	0.961	11.319	0.000
z	0.000	0.000	5.290

<r²>	255.645
(<r²>)^1/2	15.989

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)