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	hartrees
Energy at 0K	-997.595458
Energy at 298.15K	-997.600267
HF Energy	-997.024996
Nuclear repulsion energy	208.650336

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3193	3015	11.75
2	A'	3177	3000	0.08
3	A'	3091	2919	7.07
4	A'	1533	1448	7.28
5	A'	1471	1389	9.36
6	A'	1362	1286	12.06
7	A'	1145	1081	2.39
8	A'	1032	974	10.70
9	A'	680	642	11.16
10	A'	419	395	4.15
11	A'	289	273	1.33
12	A"	3173	2997	8.78
13	A"	1536	1451	2.37
14	A"	1332	1258	44.24
15	A"	1119	1056	36.62
16	A"	757	714	89.97
17	A"	330	312	0.42
18	A"	284	269	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.212	0.495	0.000
C2	-0.975	1.440	0.000
H3	1.159	1.036	0.000
Cl4	0.212	-0.520	1.469
Cl5	0.212	-0.520	-1.469
H6	-1.911	0.874	0.000
H7	-0.941	2.074	0.892
H8	-0.941	2.074	-0.892

	C1	C2	H3	Cl4	Cl5	H6	H7	H8
C1		1.5173	1.0901	1.7859	1.7859	2.1569	2.1492	2.1492
C2	1.5173		2.1719	2.7221	2.7221	1.0940	1.0951	1.0951
H3	1.0901	2.1719		2.3398	2.3398	3.0744	2.5069	2.5069
Cl4	1.7859	2.7221	2.3398		2.9389	2.9345	2.8968	3.6927
Cl5	1.7859	2.7221	2.3398	2.9389		2.9345	3.6927	2.8968
H6	2.1569	1.0940	3.0744	2.9345	2.9345		1.7825	1.7825
H7	2.1492	1.0951	2.5069	2.8968	3.6927	1.7825		1.7845
H8	2.1492	1.0951	2.5069	3.6927	2.8968	1.7825	1.7845

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.333	C1	C2	H7	109.652
C1	C2	H8	109.652	C2	C1	H3	111.770
C2	C1	Cl4	110.729	C2	C1	Cl5	110.729
H3	C1	Cl4	106.360	H3	C1	Cl5	106.360
Cl4	C1	Cl5	110.731	H6	C2	H7	109.029
H6	C2	H8	109.029	H7	C2	H8	109.123

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

using model chemistry: CCSD/6-31G*

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: CCSD/6-31G*

States and conformations

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