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	hartrees
Energy at 0K	-56.565656
Energy at 298.15K	-56.566570
Nuclear repulsion energy	75.542465

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3219	3136	11.68
2	A'	1627	1585	12.53
3	A'	1260	1228	9.72
4	A'	868	846	110.86
5	A'	776	756	116.24
6	A'	582	567	15.92
7	A'	358	349	0.12
8	A'	258	252	0.46
9	A'	162	158	1.26
10	A"	806	786	45.92
11	A"	440	429	7.46
12	A"	193	188	0.67

Atom	x (Å)	y (Å)
C1	-0.881	-0.569
C2	0.000	0.450
H3	-1.954	-0.411
Cl4	-0.405	-2.309
Cl5	-0.602	2.163
Cl6	1.790	0.272

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3471	1.0837	1.8045	2.7459	2.8009
C2	1.3471		2.1351	2.7890	1.8157	1.7991
H3	1.0837	2.1351		2.4492	2.9076	3.8058
Cl4	1.8045	2.7890	2.4492		4.4766	3.3891
Cl5	2.7459	1.8157	2.9076	4.4766		3.0494
Cl6	2.8009	1.7991	3.8058	3.3891	3.0494

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	119.768	C1	C2	Cl6	125.193
C2	C1	H3	122.519	C2	C1	Cl4	123.847
H3	C1	Cl4	113.634	Cl5	C2	Cl6	115.039

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: B3LYP/CEP-121G

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	-0.257
2	C	-0.341
3	H	0.232
4	Cl	0.077
5	Cl	0.122
6	Cl	0.167

	x	y	z	Total
	-1.177	0.117	0.000	1.183
CHELPG
AIM
ESP

	x	y	z
x	8.417	-0.145	-0.001
y	-0.145	11.891	0.001
z	-0.001	0.001	2.991

<r²>	135.790
(<r²>)^1/2	11.653

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: B3LYP/CEP-121G

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)