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	hartrees
Energy at 0K	-1457.289114
Energy at 298.15K	-1457.290233
HF Energy	-1457.289114
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3285	3116	12.80
2	A'	1706	1618	11.00
3	A'	1301	1234	9.68
4	A'	959	910	107.01
5	A'	867	822	115.86
6	A'	644	611	15.20
7	A'	396	376	0.09
8	A'	284	269	0.38
9	A'	175	166	0.99
10	A"	827	784	29.59
11	A"	485	460	3.84
12	A"	209	198	0.82

Atom	x (Å)	y (Å)
C1	-1.044	-0.381
C2	0.000	0.445
H3	-2.049	0.009
Cl4	-0.889	-2.098
Cl5	-0.267	2.149
Cl6	1.645	-0.074

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3310	1.0787	1.7232	2.6467	2.7058
C2	1.3310		2.0951	2.6929	1.7250	1.7244
H3	1.0787	2.0951		2.4053	2.7848	3.6948
Cl4	1.7232	2.6929	2.4053		4.2916	3.2420
Cl5	2.6467	1.7250	2.7848	4.2916		2.9318
Cl6	2.7058	1.7244	3.6948	3.2420	2.9318

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	119.448	C1	C2	Cl6	124.141
C2	C1	H3	120.427	C2	C1	Cl4	123.185
H3	C1	Cl4	116.388	Cl5	C2	Cl6	116.411

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: wB97X-D/6-31G*

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	-0.258
2	C	-0.181
3	H	0.250
4	Cl	0.043
5	Cl	0.061
6	Cl	0.085

	x	y	z	Total
	-0.975	0.267	0.000	1.011
CHELPG
AIM
ESP

	x	y	z
x	8.062	0.810	0.000
y	0.810	10.682	0.000
z	0.000	0.000	3.428

<r²>	258.350
(<r²>)^1/2	16.073

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: wB97X-D/6-31G*

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)