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	hartrees
Energy at 0K	-1456.504289
Energy at 298.15K	-1456.508377
HF Energy	-1455.919297
Nuclear repulsion energy	341.589727

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3313	3060	0.65
2	A	3296	3044	1.20
3	A	3241	2994	5.70
4	A	1570	1450	6.82
5	A	1449	1339	7.44
6	A	1400	1294	20.81
7	A	1344	1241	25.72
8	A	1270	1173	4.36
9	A	1143	1055	2.25
10	A	1019	941	29.83
11	A	871	805	22.67
12	A	815	753	109.08
13	A	732	676	24.46
14	A	412	381	6.86
15	A	359	331	1.13
16	A	275	254	1.49
17	A	192	178	4.28
18	A	118	109	3.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.667	-0.831	0.393
C2	-0.415	-0.078	-0.358
Cl3	2.287	-0.297	-0.092
H4	0.558	-0.682	1.461
H5	0.586	-1.887	0.162
Cl6	-1.973	-0.857	-0.013
Cl7	-0.455	1.633	0.081
H8	-0.257	-0.133	-1.426

	C1	C2	Cl3	H4	H5	Cl6	Cl7	H8
C1		1.5168	1.7738	1.0839	1.0839	2.6713	2.7254	2.1565
C2	1.5168		2.7241	2.1493	2.1317	1.7760	1.7670	1.0815
Cl3	1.7738	2.7241		2.3562	2.3426	4.2980	3.3579	2.8782
H4	1.0839	2.1493	2.3562		1.7716	2.9342	2.8797	3.0501
H5	1.0839	2.1317	2.3426	1.7716		2.7642	3.6717	2.5119
Cl6	2.6713	1.7760	4.2980	2.9342	2.7642		2.9181	2.3378
Cl7	2.7254	1.7670	3.3579	2.8797	3.6717	2.9181		2.3306
H8	2.1565	1.0815	2.8782	3.0501	2.5119	2.3378	2.3306

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	108.178	C1	C2	Cl7	111.968
C1	C2	H8	111.083	C2	C1	Cl3	111.522
C2	C1	H4	110.359	C2	C1	H5	108.965
Cl3	C1	H4	108.663	Cl3	C1	H5	107.663
H4	C1	H5	109.617	Cl6	C2	Cl7	110.898
Cl6	C2	H8	107.279	Cl7	C2	H8	107.349

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

using model chemistry: CID/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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All results from a given calculation for CH2ClCHCl2 (1,1,2-trichloroethane)

using model chemistry: CID/6-31G*

States and conformations

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