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	hartrees
Energy at 0K	-999.073828
Energy at 298.15K	-999.078474
Nuclear repulsion energy	206.648517

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3160	3066	4.52
2	A'	3138	3045	1.98
3	A'	3049	2959	6.39
4	A'	1452	1409	8.40
5	A'	1393	1351	10.02
6	A'	1285	1247	12.03
7	A'	1096	1064	5.09
8	A'	980	951	13.94
9	A'	635	616	12.67
10	A'	401	389	4.46
11	A'	269	261	0.86
12	A"	3128	3035	7.86
13	A"	1457	1414	1.29
14	A"	1228	1192	36.96
15	A"	1056	1025	38.88
16	A"	664	644	122.06
17	A"	318	308	1.48
18	A"	255	247	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.553	0.000
C2	-1.452	0.979	0.000
H3	0.695	1.395	0.000
Cl4	0.395	-0.408	1.485
Cl5	0.395	-0.408	-1.485
H6	-2.112	0.104	0.000
H7	-1.656	1.583	0.894
H8	-1.656	1.583	-0.894

	C1	C2	H3	Cl4	Cl5	H6	H7	H8
C1		1.5131	1.0919	1.8121	1.8121	2.1587	2.1450	2.1450
C2	1.5131		2.1870	2.7459	2.7459	1.0961	1.0979	1.0979
H3	1.0919	2.1870		2.3544	2.3544	3.0894	2.5224	2.5224
Cl4	1.8121	2.7459	2.3544		2.9700	2.9582	2.9181	3.7185
Cl5	1.8121	2.7459	2.3544	2.9700		2.9582	3.7185	2.9181
H6	2.1587	1.0961	3.0894	2.9582	2.9582		1.7871	1.7871
H7	2.1450	1.0979	2.5224	2.9181	3.7185	1.7871		1.7887
H8	2.1450	1.0979	2.5224	3.7185	2.9181	1.7871	1.7887

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.641	C1	C2	H7	109.452
C1	C2	H8	109.452	C2	C1	H3	113.188
C2	C1	Cl4	111.015	C2	C1	Cl5	111.015
H3	C1	Cl4	105.647	H3	C1	Cl5	105.647
Cl4	C1	Cl5	110.067	H6	C2	H7	109.088
H6	C2	H8	109.088	H7	C2	H8	109.096

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

using model chemistry: B3LYP/aug-cc-pVDZ

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: B3LYP/aug-cc-pVDZ

States and conformations

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