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	hartrees
Energy at 0K	-56.784562
Energy at 298.15K	-56.788666
Nuclear repulsion energy	91.094425

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3375	3049	5.71
2	A	3362	3037	0.91
3	A	3293	2975	11.57
4	A	1611	1455	4.38
5	A	1487	1343	11.97
6	A	1425	1287	33.37
7	A	1366	1234	41.06
8	A	1291	1166	6.60
9	A	1150	1039	2.11
10	A	1033	933	31.62
11	A	867	783	36.01
12	A	808	730	149.66
13	A	737	666	35.94
14	A	412	373	8.78
15	A	357	323	1.42
16	A	274	247	1.64
17	A	194	175	5.11
18	A	114	103	4.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.679	-0.822	0.414
C2	-0.411	-0.079	-0.358
Cl3	2.313	-0.289	-0.098
H4	0.585	-0.649	1.475
H5	0.608	-1.877	0.200
Cl6	-1.975	-0.882	-0.018
Cl7	-0.488	1.645	0.081
H8	-0.253	-0.132	-1.421

	C1	C2	Cl3	H4	H5	Cl6	Cl7	H8
C1		1.5282	1.7930	1.0788	1.0792	2.6899	2.7492	2.1704
C2	1.5282		2.7439	2.1625	2.1410	1.7914	1.7809	1.0760
Cl3	1.7930	2.7439		2.3636	2.3488	4.3297	3.4078	2.8909
H4	1.0788	2.1625	2.3636		1.7702	2.9728	2.8910	3.0586
H5	1.0792	2.1410	2.3488	1.7702		2.7772	3.6910	2.5326
Cl6	2.6899	1.7914	4.3297	2.9728	2.7772		2.9345	2.3451
Cl7	2.7492	1.7809	3.4078	2.8910	3.6910	2.9345		2.3391
H8	2.1704	1.0760	2.8909	3.0586	2.5326	2.3451	2.3391

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	107.985	C1	C2	Cl7	112.138
C1	C2	H8	111.730	C2	C1	Cl3	111.161
C2	C1	H4	110.913	C2	C1	H5	109.184
Cl3	C1	H4	108.192	Cl3	C1	H5	107.090
H4	C1	H5	110.227	Cl6	C2	Cl7	110.461
Cl6	C2	H8	107.086	Cl7	C2	H8	107.337

All results from a given calculation for CH₂ClCHCl₂ (1,1,2-trichloroethane)

using model chemistry: HF/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	-0.266
2	C	-0.059
3	Cl	-0.150
4	H	0.226
5	H	0.225
6	Cl	-0.118
7	Cl	-0.103
8	H	0.246

	x	y	z	Total
	-0.092	-1.477	-0.118	1.485
CHELPG
AIM
ESP

	x	y	z
x	9.644	0.942	-0.439
y	0.942	8.057	0.015
z	-0.439	0.015	5.608

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2ClCHCl2 (1,1,2-trichloroethane)

using model chemistry: HF/CEP-121G*

States and conformations

All results from a given calculation for CH₂ClCHCl₂ (1,1,2-trichloroethane)