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	hartrees
Energy at 0K	-1456.133336
Energy at 298.15K	-1456.137045
HF Energy	-1455.799140
Nuclear repulsion energy	325.676360

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3214	3103	4.31
2	A	3198	3087	1.42
3	A	3118	3010	8.06
4	A	1499	1447	6.81
5	A	1370	1322	3.76
6	A	1325	1279	19.67
7	A	1243	1199	18.80
8	A	1187	1146	1.90
9	A	1085	1047	2.66
10	A	966	932	17.34
11	A	735	710	14.43
12	A	678	654	78.07
13	A	620	599	22.36
14	A	376	363	8.44
15	A	309	298	0.65
16	A	239	231	1.77
17	A	173	167	4.96
18	A	106	102	4.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.654	-0.867	0.428
C2	-0.405	-0.097	-0.376
Cl3	2.394	-0.335	-0.097
H4	0.569	-0.674	1.505
H5	0.591	-1.941	0.207
Cl6	-2.088	-0.885	-0.017
Cl7	-0.448	1.723	0.081
H8	-0.259	-0.152	-1.460

	C1	C2	Cl3	H4	H5	Cl6	Cl7	H8
C1		1.5362	1.8932	1.0978	1.0985	2.7782	2.8352	2.2157
C2	1.5362		2.8228	2.1951	2.1752	1.8927	1.8768	1.0954
Cl3	1.8932	2.8228		2.4519	2.4335	4.5162	3.5130	2.9883
H4	1.0978	2.1951	2.4519		1.8141	3.0692	2.9668	3.1225
H5	1.0985	2.1752	2.4335	1.8141		2.8883	3.8100	2.5892
Cl6	2.7782	1.8927	4.5162	3.0692	2.8883		3.0820	2.4424
Cl7	2.8352	1.8768	3.5130	2.9668	3.8100	3.0820		2.4342
H8	2.2157	1.0954	2.9883	3.1225	2.5892	2.4424	2.4342

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	107.784	C1	C2	Cl7	111.960
C1	C2	H8	113.642	C2	C1	Cl3	110.361
C2	C1	H4	111.818	C2	C1	H5	110.188
Cl3	C1	H4	107.105	Cl3	C1	H5	105.777
H4	C1	H5	111.374	Cl6	C2	Cl7	109.694
Cl6	C2	H8	106.583	Cl7	C2	H8	107.015

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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