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	hartrees
Energy at 0K	-1456.506307
Energy at 298.15K	-1456.510388
HF Energy	-1455.919305
Nuclear repulsion energy	341.484558

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3310	3065	0.76
2	A	3293	3048	1.18
3	A	3238	2998	5.86
4	A	1569	1453	6.72
5	A	1448	1340	7.57
6	A	1399	1295	20.95
7	A	1342	1242	26.04
8	A	1269	1175	4.39
9	A	1141	1056	2.26
10	A	1017	942	29.70
11	A	868	804	22.87
12	A	812	752	110.94
13	A	730	676	24.96
14	A	412	381	6.88
15	A	358	331	1.13
16	A	275	254	1.48
17	A	192	178	4.28
18	A	118	109	3.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.667	-0.831	0.393
C2	-0.415	-0.078	-0.358
Cl3	2.288	-0.297	-0.092
H4	0.557	-0.683	1.461
H5	0.586	-1.887	0.162
Cl6	-1.974	-0.857	-0.013
Cl7	-0.455	1.634	0.081
H8	-0.258	-0.133	-1.427

	C1	C2	Cl3	H4	H5	Cl6	Cl7	H8
C1		1.5171	1.7745	1.0840	1.0841	2.6718	2.7262	2.1572
C2	1.5171		2.7248	2.1497	2.1321	1.7768	1.7676	1.0816
Cl3	1.7745	2.7248		2.3568	2.3432	4.2993	3.3587	2.8793
H4	1.0840	2.1497	2.3568		1.7720	2.9347	2.8804	3.0508
H5	1.0841	2.1321	2.3432	1.7720		2.7649	3.6727	2.5125
Cl6	2.6718	1.7768	4.2993	2.9347	2.7649		2.9192	2.3384
Cl7	2.7262	1.7676	3.3587	2.8804	3.6727	2.9192		2.3312
H8	2.1572	1.0816	2.8793	3.0508	2.5125	2.3384	2.3312

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	108.159	C1	C2	Cl7	111.966
C1	C2	H8	111.112	C2	C1	Cl3	111.509
C2	C1	H4	110.370	C2	C1	H5	108.969
Cl3	C1	H4	108.655	Cl3	C1	H5	107.650
H4	C1	H5	109.635	Cl6	C2	Cl7	110.893
Cl6	C2	H8	107.276	Cl7	C2	H8	107.349

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

using model chemistry: CISD/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: CISD/6-31G*

States and conformations

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