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	hartrees
Energy at 0K	-1456.703707
Energy at 298.15K	-1456.707683
HF Energy	-1455.989899
Nuclear repulsion energy	340.019718

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3222	3062	0.46
2	A	3184	3026	1.72
3	A	3141	2985	6.07
4	A	1469	1396	5.67
5	A	1346	1280	6.99
6	A	1299	1234	15.00
7	A	1243	1181	19.87
8	A	1187	1128	5.06
9	A	1101	1046	3.76
10	A	959	911	26.49
11	A	828	787	15.52
12	A	783	744	104.61
13	A	699	664	22.88
14	A	395	376	6.01
15	A	344	327	0.80
16	A	263	250	1.26
17	A	183	174	3.58
18	A	117	111	2.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.659	-0.847	0.387
C2	-0.417	-0.079	-0.367
Cl3	2.289	-0.309	-0.089
H4	0.537	-0.701	1.470
H5	0.570	-1.915	0.145
Cl6	-1.993	-0.845	-0.010
Cl7	-0.431	1.642	0.082
H8	-0.262	-0.134	-1.453

	C1	C2	Cl3	H4	H5	Cl6	Cl7	H8
C1		1.5222	1.7816	1.0993	1.0991	2.6817	2.7340	2.1777
C2	1.5222		2.7305	2.1614	2.1465	1.7880	1.7782	1.0983
Cl3	1.7816	2.7305		2.3777	2.3647	4.3165	3.3516	2.8985
H4	1.0993	2.1614	2.3777		1.7980	2.9351	2.8897	3.0826
H5	1.0991	2.1465	2.3647	1.7980		2.7816	3.6955	2.5328
Cl6	2.6817	1.7880	4.3165	2.9351	2.7816		2.9381	2.3623
Cl7	2.7340	1.7782	3.3516	2.8897	3.6955	2.9381		2.3532
H8	2.1777	1.0983	2.8985	3.0826	2.5328	2.3623	2.3532

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	107.949	C1	C2	Cl7	111.631
C1	C2	H8	111.387	C2	C1	Cl3	111.230
C2	C1	H4	110.030	C2	C1	H5	108.878
Cl3	C1	H4	108.930	Cl3	C1	H5	107.989
H4	C1	H5	109.751	Cl6	C2	Cl7	110.946
Cl6	C2	H8	107.445	Cl7	C2	H8	107.424

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

using model chemistry: MP2=FULL/cc-pVDZ

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: MP2=FULL/cc-pVDZ

States and conformations

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