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	hartrees
Energy at 0K	-997.579799
Energy at 298.15K	-997.584636
HF Energy	-997.025151
Nuclear repulsion energy	209.407718

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3236	3049	5.94
2	A'	3210	3024	1.71
3	A'	3125	2944	4.63
4	A'	1545	1455	8.02
5	A'	1475	1390	11.29
6	A'	1366	1287	12.60
7	A'	1151	1085	2.88
8	A'	1037	977	12.12
9	A'	686	647	11.01
10	A'	421	397	4.23
11	A'	292	275	1.29
12	A"	3221	3035	5.37
13	A"	1548	1459	2.64
14	A"	1339	1261	43.67
15	A"	1123	1058	39.68
16	A"	762	718	93.00
17	A"	334	315	0.46
18	A"	291	274	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.212	0.495	0.000
C2	-0.975	1.430	0.000
H3	1.156	1.037	0.000
Cl4	0.212	-0.517	1.464
Cl5	0.212	-0.517	-1.464
H6	-1.905	0.859	0.000
H7	-0.944	2.061	0.890
H8	-0.944	2.061	-0.890

	C1	C2	H3	Cl4	Cl5	H6	H7	H8
C1		1.5109	1.0883	1.7795	1.7795	2.1479	2.1403	2.1403
C2	1.5109		2.1673	2.7093	2.7093	1.0908	1.0920	1.0920
H3	1.0883	2.1673		2.3338	2.3338	3.0661	2.5003	2.5003
Cl4	1.7795	2.7093	2.3338		2.9275	2.9183	2.8829	3.6773
Cl5	1.7795	2.7093	2.3338	2.9275		2.9183	3.6773	2.8829
H6	2.1479	1.0908	3.0661	2.9183	2.9183		1.7782	1.7782
H7	2.1403	1.0920	2.5003	2.8829	3.6773	1.7782		1.7803
H8	2.1403	1.0920	2.5003	3.6773	2.8829	1.7782	1.7803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.250	C1	C2	H7	109.576
C1	C2	H8	109.576	C2	C1	H3	111.965
C2	C1	Cl4	110.592	C2	C1	Cl5	110.592
H3	C1	Cl4	106.431	H3	C1	Cl5	106.431
Cl4	C1	Cl5	110.687	H6	C2	H7	109.104
H6	C2	H8	109.104	H7	C2	H8	109.212

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

using model chemistry: MP2=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: MP2=FULL/6-31G*

States and conformations

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