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	hartrees
Energy at 0K	-1449.252933
Energy at 298.15K	-1449.256644
HF Energy	-1448.926555
Nuclear repulsion energy	327.322679

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3261	3112	0.82
2	A	3247	3099	0.72
3	A	3176	3032	1.01
4	A	1553	1483	10.50
5	A	1381	1318	5.63
6	A	1328	1268	15.51
7	A	1232	1176	22.57
8	A	1210	1155	2.96
9	A	1077	1028	3.14
10	A	943	900	20.53
11	A	732	698	20.66
12	A	678	648	90.87
13	A	615	587	25.24
14	A	374	357	8.01
15	A	308	294	0.40
16	A	236	225	1.99
17	A	174	166	5.67
18	A	103	98	4.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.628	-0.873	0.426
C2	-0.393	-0.105	-0.381
Cl3	2.376	-0.346	-0.095
H4	0.541	-0.670	1.491
H5	0.566	-1.938	0.211
Cl6	-2.092	-0.860	-0.017
Cl7	-0.418	1.714	0.081
H8	-0.248	-0.162	-1.454

	C1	C2	Cl3	H4	H5	Cl6	Cl7	H8
C1		1.5108	1.8988	1.0873	1.0885	2.7555	2.8118	2.1918
C2	1.5108		2.7945	2.1663	2.1515	1.8940	1.8775	1.0843
Cl3	1.8988	2.7945		2.4462	2.4306	4.4982	3.4755	2.9604
H4	1.0873	2.1663	2.4462		1.8020	3.0402	2.9308	3.0899
H5	1.0885	2.1515	2.4306	1.8020		2.8768	3.7848	2.5664
Cl6	2.7555	1.8940	4.4982	3.0402	2.8768		3.0727	2.4398
Cl7	2.8118	1.8775	3.4755	2.9308	3.7848	3.0727		2.4300
H8	2.1918	1.0843	2.9604	3.0899	2.5664	2.4398	2.4300

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	107.527	C1	C2	Cl7	111.713
C1	C2	H8	114.252	C2	C1	Cl3	109.567
C2	C1	H4	111.957	C2	C1	H5	110.683
Cl3	C1	H4	106.835	Cl3	C1	H5	105.685
H4	C1	H5	111.827	Cl6	C2	Cl7	109.119
Cl6	C2	H8	106.840	Cl7	C2	H8	107.203

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

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