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	hartrees
Energy at 0K	-56.678164
Energy at 298.15K	-56.682135
Nuclear repulsion energy	89.150424

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3434	3096	3.94
2	A	3418	3081	1.07
3	A	3337	3008	11.73
4	A	1613	1454	6.56
5	A	1476	1330	9.04
6	A	1419	1279	37.79
7	A	1353	1219	42.47
8	A	1285	1159	3.67
9	A	1167	1052	1.90
10	A	1038	936	30.26
11	A	810	730	37.48
12	A	744	671	155.92
13	A	691	623	47.64
14	A	403	363	10.84
15	A	340	307	1.61
16	A	262	236	2.71
17	A	189	171	7.93
18	A	103	93	6.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.675	-0.823	0.450
C2	-0.400	-0.088	-0.356
Cl3	2.368	-0.307	-0.107
H4	0.609	-0.606	1.506
H5	0.614	-1.886	0.268
Cl6	-2.026	-0.909	-0.026
Cl7	-0.497	1.693	0.079
H8	-0.239	-0.144	-1.419

	C1	C2	Cl3	H4	H5	Cl6	Cl7	H8
C1		1.5311	1.8555	1.0798	1.0802	2.7437	2.8006	2.1888
C2	1.5311		2.7875	2.1795	2.1559	1.8508	1.8365	1.0771
Cl3	1.8555	2.7875		2.4054	2.3896	4.4353	3.4995	2.9227
H4	1.0798	2.1795	2.4054		1.7809	3.0625	2.9228	3.0801
H5	1.0802	2.1559	2.3896	1.7809		2.8297	3.7524	2.5706
Cl6	2.7437	1.8508	4.4353	3.0625	2.8297		3.0197	2.3915
Cl7	2.8006	1.8365	3.4995	2.9228	3.7524	3.0197		2.3850
H8	2.1888	1.0771	2.9227	3.0801	2.5706	2.3915	2.3850

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	108.070	C1	C2	Cl7	112.212
C1	C2	H8	112.946	C2	C1	Cl3	110.424
C2	C1	H4	112.015	C2	C1	H5	110.098
Cl3	C1	H4	107.084	Cl3	C1	H5	105.935
H4	C1	H5	111.071	Cl6	C2	Cl7	109.959
Cl6	C2	H8	106.521	Cl7	C2	H8	106.974

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

using model chemistry: HF/CEP-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	-0.224
2	C	-0.349
3	Cl	-0.079
4	H	0.212
5	H	0.201
6	Cl	-0.021
7	Cl	0.001
8	H	0.259

	x	y	z	Total
	-0.062	-1.881	-0.024	1.883
CHELPG
AIM
ESP

	x	y	z
x	9.293	1.656	-0.920
y	1.656	7.159	0.039
z	-0.920	0.039	3.638

<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-31G

States and conformations

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