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	hartrees
Energy at 0K	-1457.468143
Energy at 298.15K	-1457.469198
HF Energy	-1457.468143
Nuclear repulsion energy	314.956786

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3236	3124	12.64
2	A'	1646	1589	14.09
3	A'	1277	1232	10.19
4	A'	906	875	103.23
5	A'	818	789	131.00
6	A'	621	599	16.91
7	A'	382	368	0.15
8	A'	276	266	0.28
9	A'	172	166	0.90
10	A"	812	784	27.14
11	A"	470	454	5.40
12	A"	203	196	0.30

Atom	x (Å)	y (Å)
C1	-1.038	-0.390
C2	0.000	0.439
H3	-2.050	-0.017
Cl4	-0.910	-2.121
Cl5	-0.263	2.166
Cl6	1.659	-0.062

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3281	1.0789	1.7351	2.6713	2.7168
C2	1.3281		2.0997	2.7165	1.7471	1.7333
H3	1.0789	2.0997		2.3928	2.8210	3.7093
Cl4	1.7351	2.7165	2.3928		4.3354	3.2923
Cl5	2.6713	1.7471	2.8210	4.3354		2.9426
Cl6	2.7168	1.7333	3.7093	3.2923	2.9426

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	119.982	C1	C2	Cl6	124.574
C2	C1	H3	121.111	C2	C1	Cl4	124.413
H3	C1	Cl4	114.476	Cl5	C2	Cl6	115.444

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: B3LYP/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	-0.102
2	C	-0.059
3	H	0.198
4	Cl	-0.030
5	Cl	-0.016
6	Cl	0.008

	x	y	z	Total
	-0.862	0.256	0.000	0.900
CHELPG
AIM
ESP

	x	y	z
x	8.804	0.710	0.000
y	0.710	11.509	0.000
z	0.000	0.000	4.568

<r²>	261.589
(<r²>)^1/2	16.174

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: B3LYP/TZVP

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)