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	hartrees
Energy at 0K	-1457.298200
Energy at 298.15K	-1457.299122
Nuclear repulsion energy	313.430234

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3161	3144	11.72
2	A'	1575	1566	11.47
3	A'	1226	1219	9.13
4	A'	861	856	94.17
5	A'	791	787	126.98
6	A'	600	597	15.97
7	A'	369	367	0.15
8	A'	265	264	0.29
9	A'	164	163	0.84
10	A"	763	759	20.63
11	A"	447	445	1.85
12	A"	196	195	0.61

Atom	x (Å)	y (Å)
C1	-1.043	-0.407
C2	0.000	0.442
H3	-2.067	-0.041
Cl4	-0.893	-2.140
Cl5	-0.286	2.172
Cl6	1.669	-0.042

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3453	1.0874	1.7392	2.6877	2.7370
C2	1.3453		2.1232	2.7319	1.7531	1.7377
H3	1.0874	2.1232		2.4047	2.8410	3.7365
Cl4	1.7392	2.7319	2.4047		4.3540	3.3116
Cl5	2.6877	1.7531	2.8410	4.3540		2.9531
Cl6	2.7370	1.7377	3.7365	3.3116	2.9531

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	119.748	C1	C2	Cl6	124.701
C2	C1	H3	121.207	C2	C1	Cl4	124.179
H3	C1	Cl4	114.614	Cl5	C2	Cl6	115.550

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	-0.093
2	C	0.210
3	H	0.152
4	Cl	-0.089
5	Cl	-0.099
6	Cl	-0.080

	x	y	z	Total
	-0.816	0.246	0.000	0.852
CHELPG
AIM
ESP

	x	y	z
x	9.310	0.856	0.000
y	0.856	12.271	0.000
z	0.000	0.000	4.782

<r²>	263.372
(<r²>)^1/2	16.229

All results from a given calculation for CHClCCl2 (Trichloroethylene)

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

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)