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	hartrees
Energy at 0K	-997.512800
Energy at 298.15K	-997.517679
HF Energy	-997.025355
Nuclear repulsion energy	209.545611

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3283	3032	9.83
2	A'	3265	3016	0.80
3	A'	3173	2931	6.86
4	A'	1572	1452	7.45
5	A'	1512	1396	9.22
6	A'	1400	1293	12.55
7	A'	1172	1082	2.21
8	A'	1056	976	11.73
9	A'	699	646	12.81
10	A'	429	396	4.37
11	A'	297	274	1.42
12	A"	3259	3010	8.13
13	A"	1575	1455	2.26
14	A"	1370	1265	48.51
15	A"	1149	1061	40.82
16	A"	786	726	97.70
17	A"	338	312	0.44
18	A"	287	266	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.536	0.000
C2	-1.458	0.938	0.000
H3	0.654	1.399	0.000
Cl4	0.398	-0.393	1.462
Cl5	0.398	-0.393	-1.462
H6	-2.095	0.057	0.000
H7	-1.673	1.532	0.887
H8	-1.673	1.532	-0.887

	C1	C2	H3	Cl4	Cl5	H6	H7	H8
C1		1.5126	1.0827	1.7776	1.7776	2.1489	2.1390	2.1390
C2	1.5126		2.1617	2.7122	2.7122	1.0872	1.0883	1.0883
H3	1.0827	2.1617		2.3272	2.3272	3.0588	2.4934	2.4934
Cl4	1.7776	2.7122	2.3272		2.9237	2.9247	2.8853	3.6756
Cl5	1.7776	2.7122	2.3272	2.9237		2.9247	3.6756	2.8853
H6	2.1489	1.0872	3.0588	2.9247	2.9247		1.7718	1.7718
H7	2.1390	1.0883	2.4934	2.8853	3.6756	1.7718		1.7734
H8	2.1390	1.0883	2.4934	3.6756	2.8853	1.7718	1.7734

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.426	C1	C2	H7	109.575
C1	C2	H8	109.575	C2	C1	H3	111.736
C2	C1	Cl4	110.788	C2	C1	Cl5	110.788
H3	C1	Cl4	106.356	H3	C1	Cl5	106.356
Cl4	C1	Cl5	110.650	H6	C2	H7	109.059
H6	C2	H8	109.059	H7	C2	H8	109.123

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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