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	hartrees
Energy at 0K	-997.616804
Energy at 298.15K	-997.621631
HF Energy	-997.025183
Nuclear repulsion energy	209.011275

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3230	3031	9.10
2	A'	3214	3015	0.23
3	A'	3124	2931	5.69
4	A'	1543	1448	7.97
5	A'	1481	1390	10.78
6	A'	1371	1287	11.87
7	A'	1153	1082	2.53
8	A'	1038	974	11.27
9	A'	685	643	11.15
10	A'	421	395	4.20
11	A'	291	273	1.36
12	A"	3209	3011	7.17
13	A"	1546	1451	2.66
14	A"	1342	1259	43.79
15	A"	1125	1056	37.96
16	A"	765	718	88.02
17	A"	333	312	0.45
18	A"	284	267	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.212	0.495	0.000
C2	-0.974	1.436	0.000
H3	1.156	1.035	0.000
Cl4	0.212	-0.519	1.466
Cl5	0.212	-0.519	-1.466
H6	-1.907	0.870	0.000
H7	-0.941	2.069	0.890
H8	-0.941	2.069	-0.890

	C1	C2	H3	Cl4	Cl5	H6	H7	H8
C1		1.5140	1.0870	1.7828	1.7828	2.1518	2.1439	2.1439
C2	1.5140		2.1674	2.7164	2.7164	1.0914	1.0925	1.0925
H3	1.0870	2.1674		2.3353	2.3353	3.0671	2.5014	2.5014
Cl4	1.7828	2.7164	2.3353		2.9329	2.9272	2.8903	3.6846
Cl5	1.7828	2.7164	2.3353	2.9329		2.9272	3.6846	2.8903
H6	2.1518	1.0914	3.0671	2.9272	2.9272		1.7785	1.7785
H7	2.1439	1.0925	2.5014	2.8903	3.6846	1.7785		1.7807
H8	2.1439	1.0925	2.5014	3.6846	2.8903	1.7785	1.7807

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.307	C1	C2	H7	109.620
C1	C2	H8	109.620	C2	C1	H3	111.829
C2	C1	Cl4	110.701	C2	C1	Cl5	110.701
H3	C1	Cl4	106.388	H3	C1	Cl5	106.388
Cl4	C1	Cl5	110.678	H6	C2	H7	109.050
H6	C2	H8	109.050	H7	C2	H8	109.171

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G*

States and conformations

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