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	hartrees
Energy at 0K	-1449.880743
Energy at 298.15K	-1449.884640
HF Energy	-1449.246008
Nuclear repulsion energy	336.771621

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3185	3046	0.23
2	A	3169	3031	0.45
3	A	3117	2981	3.00
4	A	1548	1480	9.28
5	A	1395	1334	4.47
6	A	1360	1301	10.42
7	A	1290	1234	17.41
8	A	1242	1188	2.16
9	A	1042	997	0.71
10	A	975	932	21.45
11	A	790	756	13.82
12	A	731	699	88.03
13	A	664	636	23.58
14	A	396	379	6.74
15	A	336	321	0.63
16	A	260	249	1.33
17	A	185	177	4.25
18	A	109	105	3.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.665	-0.857	0.401
C2	-0.417	-0.086	-0.373
Cl3	2.315	-0.308	-0.092
H4	0.550	-0.693	1.475
H5	0.585	-1.922	0.166
Cl6	-2.017	-0.848	-0.012
Cl7	-0.437	1.652	0.083
H8	-0.255	-0.147	-1.449

	C1	C2	Cl3	H4	H5	Cl6	Cl7	H8
C1		1.5371	1.8081	1.0923	1.0930	2.7134	2.7594	2.1846
C2	1.5371		2.7553	2.1715	2.1597	1.8090	1.7977	1.0896
Cl3	1.8081	2.7553		2.3916	2.3798	4.3667	3.3841	2.9112
H4	1.0923	2.1715	2.3916		1.7955	2.9705	2.9001	3.0810
H5	1.0930	2.1597	2.3798	1.7955		2.8208	3.7187	2.5426
Cl6	2.7134	1.8090	4.3667	2.9705	2.8208		2.9596	2.3788
Cl7	2.7594	1.7977	3.3841	2.9001	3.7187	2.9596		2.3705
H8	2.1846	1.0896	2.9112	3.0810	2.5426	2.3788	2.3705

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	108.098	C1	C2	Cl7	111.436
C1	C2	H8	111.405	C2	C1	Cl3	110.647
C2	C1	H4	110.202	C2	C1	H5	109.236
Cl3	C1	H4	108.565	Cl3	C1	H5	107.662
H4	C1	H5	110.494	Cl6	C2	Cl7	110.288
Cl6	C2	H8	107.711	Cl7	C2	H8	107.844

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

using model chemistry: CCD/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: CCD/3-21G*

States and conformations

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