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	hartrees
Energy at 0K	-1458.632297
Energy at 298.15K	-1458.636083
HF Energy	-1458.632297
Nuclear repulsion energy	339.041789

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3177	3066	0.27
2	A	3154	3044	0.68
3	A	3101	2992	4.97
4	A	1474	1422	4.72
5	A	1326	1279	7.76
6	A	1275	1231	18.94
7	A	1214	1172	21.74
8	A	1165	1124	3.45
9	A	1058	1021	3.99
10	A	934	901	25.29
11	A	765	738	13.28
12	A	724	699	145.40
13	A	664	641	38.75
14	A	376	363	7.76
15	A	325	314	1.31
16	A	247	238	1.38
17	A	171	165	4.22
18	A	106	102	3.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.669	-0.828	0.407
C2	-0.418	-0.078	-0.352
Cl3	2.298	-0.307	-0.097
H4	0.563	-0.657	1.479
H5	0.575	-1.895	0.202
Cl6	-1.988	-0.863	-0.018
Cl7	-0.451	1.647	0.080
H8	-0.249	-0.136	-1.426

	C1	C2	Cl3	H4	H5	Cl6	Cl7	H8
C1		1.5229	1.7827	1.0906	1.0913	2.6913	2.7361	2.1645
C2	1.5229		2.7368	2.1565	2.1430	1.7871	1.7794	1.0891
Cl3	1.7827	2.7368		2.3704	2.3621	4.3225	3.3771	2.8780
H4	1.0906	2.1565	2.3704		1.7791	2.9649	2.8804	3.0620
H5	1.0913	2.1430	2.3621	1.7791		2.7718	3.6900	2.5349
Cl6	2.6913	1.7871	4.3225	2.9649	2.7718		2.9453	2.3533
Cl7	2.7361	1.7794	3.3771	2.8804	3.6900	2.9453		2.3432
H8	2.1645	1.0891	2.8780	3.0620	2.5349	2.3533	2.3432

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	108.534	C1	C2	Cl7	111.671
C1	C2	H8	110.835	C2	C1	Cl3	111.537
C2	C1	H4	110.109	C2	C1	H5	109.005
Cl3	C1	H4	108.767	Cl3	C1	H5	108.130
H4	C1	H5	109.246	Cl6	C2	Cl7	111.342
Cl6	C2	H8	107.303	Cl7	C2	H8	107.075

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

using model chemistry: TPSSh/6-31G(2df,p)

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: TPSSh/6-31G(2df,p)

States and conformations

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