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	hartrees
Energy at 0K	-1457.322067
Energy at 298.15K	-1457.326062
Nuclear repulsion energy	344.028249

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3204	3037	0.53
2	A	3186	3021	1.17
3	A	3144	2981	5.48
4	A	1489	1411	6.97
5	A	1352	1282	5.99
6	A	1306	1238	12.30
7	A	1251	1186	17.81
8	A	1200	1138	3.96
9	A	1102	1045	3.44
10	A	962	912	25.11
11	A	832	788	15.69
12	A	791	750	100.68
13	A	704	667	20.39
14	A	394	374	5.45
15	A	345	327	0.74
16	A	262	249	1.08
17	A	183	174	3.34
18	A	119	113	2.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.647	-0.844	0.383
C2	-0.413	-0.080	-0.367
Cl3	2.261	-0.307	-0.087
H4	0.524	-0.695	1.447
H5	0.561	-1.896	0.143
Cl6	-1.975	-0.828	-0.009
Cl7	-0.418	1.621	0.082
H8	-0.260	-0.134	-1.434

	C1	C2	Cl3	H4	H5	Cl6	Cl7	H8
C1		1.5070	1.7645	1.0822	1.0821	2.6513	2.7022	2.1515
C2	1.5070		2.6989	2.1330	2.1228	1.7677	1.7595	1.0793
Cl3	1.7645	2.6989		2.3499	2.3382	4.2687	3.3051	2.8643
H4	1.0822	2.1330	2.3499		1.7732	2.8956	2.8489	3.0387
H5	1.0821	2.1228	2.3382	1.7732		2.7557	3.6511	2.5033
Cl6	2.6513	1.7677	4.2687	2.8956	2.7557		2.9036	2.3346
Cl7	2.7022	1.7595	3.3051	2.8489	3.6511	2.9036		2.3245
H8	2.1515	1.0793	2.8643	3.0387	2.5033	2.3346	2.3245

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	107.856	C1	C2	Cl7	111.402
C1	C2	H8	111.518	C2	C1	Cl3	110.930
C2	C1	H4	109.851	C2	C1	H5	109.053
Cl3	C1	H4	108.907	Cl3	C1	H5	108.042
H4	C1	H5	110.034	Cl6	C2	Cl7	110.809
Cl6	C2	H8	107.706	Cl7	C2	H8	107.508

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

using model chemistry: MP2=FULL/cc-pV(T+d)Z

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-pV(T+d)Z

States and conformations

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