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	hartrees
Energy at 0K	-997.622850
Energy at 298.15K	-997.627694
HF Energy	-997.031637
Nuclear repulsion energy	209.092028

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3265	3038	12.26
2	A'	3248	3023	0.08
3	A'	3157	2938	6.98
4	A'	1548	1441	5.95
5	A'	1482	1379	6.40
6	A'	1374	1278	13.14
7	A'	1152	1072	3.17
8	A'	1037	965	9.83
9	A'	685	637	11.32
10	A'	419	390	4.00
11	A'	290	270	1.34
12	A"	3249	3023	9.12
13	A"	1552	1444	1.46
14	A"	1341	1248	46.38
15	A"	1125	1047	34.00
16	A"	768	714	88.36
17	A"	331	308	0.34
18	A"	286	266	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.211	0.493	0.000
C2	-0.971	1.438	0.000
H3	1.151	1.030	0.000
Cl4	0.211	-0.518	1.468
Cl5	0.211	-0.518	-1.468
H6	-1.901	0.877	0.000
H7	-0.936	2.067	0.886
H8	-0.936	2.067	-0.886

	C1	C2	H3	Cl4	Cl5	H6	H7	H8
C1		1.5139	1.0823	1.7830	1.7830	2.1471	2.1393	2.1393
C2	1.5139		2.1614	2.7171	2.7171	1.0859	1.0869	1.0869
H3	1.0823	2.1614		2.3315	2.3315	3.0560	2.4928	2.4928
Cl4	1.7830	2.7171	2.3315		2.9366	2.9268	2.8875	3.6798
Cl5	1.7830	2.7171	2.3315	2.9366		2.9268	3.6798	2.8875
H6	2.1471	1.0859	3.0560	2.9268	2.9268		1.7699	1.7699
H7	2.1393	1.0869	2.4928	2.8875	3.6798	1.7699		1.7718
H8	2.1393	1.0869	2.4928	3.6798	2.8875	1.7699	1.7718

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.270	C1	C2	H7	109.591
C1	C2	H8	109.591	C2	C1	H3	111.641
C2	C1	Cl4	110.740	C2	C1	Cl5	110.740
H3	C1	Cl4	106.341	H3	C1	Cl5	106.341
Cl4	C1	Cl5	110.877	H6	C2	H7	109.090
H6	C2	H8	109.090	H7	C2	H8	109.187

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

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

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