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	hartrees
Energy at 0K	-999.039220
Energy at 298.15K	-999.043849
HF Energy	-999.039220
Nuclear repulsion energy	207.850853

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3159	3048	8.08
2	A'	3140	3030	0.24
3	A'	3052	2945	7.83
4	A'	1491	1439	5.92
5	A'	1414	1364	4.66
6	A'	1301	1255	14.10
7	A'	1097	1059	4.55
8	A'	983	948	14.96
9	A'	642	619	13.99
10	A'	393	379	4.77
11	A'	265	256	1.17
12	A"	3133	3023	9.63
13	A"	1497	1444	0.87
14	A"	1241	1198	40.94
15	A"	1068	1031	37.32
16	A"	674	651	126.28
17	A"	307	296	0.93
18	A"	262	252	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.212	0.500	0.000
C2	-0.975	1.447	0.000
H3	1.166	1.023	0.000
Cl4	0.212	-0.522	1.474
Cl5	0.212	-0.522	-1.474
H6	-1.912	0.886	0.000
H7	-0.937	2.079	0.892
H8	-0.937	2.079	-0.892

	C1	C2	H3	Cl4	Cl5	H6	H7	H8
C1		1.5184	1.0879	1.7933	1.7933	2.1583	2.1467	2.1467
C2	1.5184		2.1821	2.7309	2.7309	1.0920	1.0936	1.0936
H3	1.0879	2.1821		2.3385	2.3385	3.0804	2.5159	2.5159
Cl4	1.7933	2.7309	2.3385		2.9473	2.9435	2.9025	3.6987
Cl5	1.7933	2.7309	2.3385	2.9473		2.9435	3.6987	2.9025
H6	2.1583	1.0920	3.0804	2.9435	2.9435		1.7804	1.7804
H7	2.1467	1.0936	2.5159	2.9025	3.6987	1.7804		1.7832
H8	2.1467	1.0936	2.5159	3.6987	2.9025	1.7804	1.7832

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.482	C1	C2	H7	109.466
C1	C2	H8	109.466	C2	C1	H3	112.654
C2	C1	Cl4	110.827	C2	C1	Cl5	110.827
H3	C1	Cl4	105.903	H3	C1	Cl5	105.903
Cl4	C1	Cl5	110.521	H6	C2	H7	109.089
H6	C2	H8	109.089	H7	C2	H8	109.229

All results from a given calculation for CH₃CHCl₂ (Ethane, 1,1-dichloro-)

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 CH3CHCl2 (Ethane, 1,1-dichloro-)

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

States and conformations

All results from a given calculation for CH₃CHCl₂ (Ethane, 1,1-dichloro-)