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	hartrees
Energy at 0K	-1456.173624
Energy at 298.15K	-1456.177306
HF Energy	-1455.816971
Nuclear repulsion energy	326.437302

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3199	3082	0.20
2	A	3186	3070	0.21
3	A	3115	3002	2.09
4	A	1519	1464	8.50
5	A	1367	1317	5.68
6	A	1321	1273	18.74
7	A	1239	1194	23.99
8	A	1194	1151	2.58
9	A	1098	1058	2.29
10	A	952	917	18.50
11	A	723	696	17.55
12	A	663	639	94.44
13	A	612	590	28.85
14	A	373	359	7.86
15	A	307	296	0.82
16	A	238	229	1.94
17	A	173	167	5.58
18	A	100	96	4.89

Atom	x (Å)	y (Å)	z (Å)
C1	0.652	-0.851	0.434
C2	-0.397	-0.097	-0.366
Cl3	2.393	-0.332	-0.100
H4	0.577	-0.647	1.506
H5	0.588	-1.925	0.231
Cl6	-2.075	-0.895	-0.021
Cl7	-0.461	1.721	0.079
H8	-0.250	-0.150	-1.446

	C1	C2	Cl3	H4	H5	Cl6	Cl7	H8
C1		1.5196	1.8935	1.0940	1.0949	2.7649	2.8245	2.1993
C2	1.5196		2.8126	2.1812	2.1608	1.8897	1.8727	1.0907
Cl3	1.8935	2.8126		2.4447	2.4293	4.5039	3.5202	2.9712
H4	1.0940	2.1812	2.4447		1.8057	3.0702	2.9529	3.1055
H5	1.0949	2.1608	2.4293	1.8057		2.8669	3.7967	2.5811
Cl6	2.7649	1.8897	4.5039	3.0702	2.8669		3.0752	2.4324
Cl7	2.8245	1.8727	3.5202	2.9529	3.7967	3.0752		2.4230
H8	2.1993	1.0907	2.9712	3.1055	2.5811	2.4324	2.4230

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	107.892	C1	C2	Cl7	112.318
C1	C2	H8	113.805	C2	C1	Cl3	110.514
C2	C1	H4	112.111	C2	C1	H5	110.417
Cl3	C1	H4	106.756	Cl3	C1	H5	105.632
H4	C1	H5	111.154	Cl6	C2	Cl7	109.637
Cl6	C2	H8	106.285	Cl7	C2	H8	106.701

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

using model chemistry: QCISD/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: QCISD/6-31G

States and conformations

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