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	hartrees
Energy at 0K	-997.589025
Energy at 298.15K	-997.593850
HF Energy	-997.025160
Nuclear repulsion energy	208.874398

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3230	3031	9.04
2	A'	3213	3015	0.33
3	A'	3123	2931	5.73
4	A'	1542	1447	7.86
5	A'	1480	1389	10.57
6	A'	1371	1286	12.09
7	A'	1152	1082	2.56
8	A'	1038	974	11.26
9	A'	685	643	11.35
10	A'	421	395	4.25
11	A'	290	272	1.38
12	A"	3208	3011	7.27
13	A"	1546	1451	2.62
14	A"	1342	1260	44.26
15	A"	1125	1056	37.80
16	A"	764	717	88.93
17	A"	332	311	0.44
18	A"	285	267	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.212	0.496	0.000
C2	-0.976	1.436	0.000
H3	1.156	1.036	0.000
Cl4	0.212	-0.519	1.467
Cl5	0.212	-0.519	-1.467
H6	-1.909	0.869	0.000
H7	-0.942	2.068	0.891
H8	-0.942	2.068	-0.891

	C1	C2	H3	Cl4	Cl5	H6	H7	H8
C1		1.5151	1.0872	1.7843	1.7843	2.1534	2.1443	2.1443
C2	1.5151		2.1695	2.7181	2.7181	1.0917	1.0928	1.0928
H3	1.0872	2.1695		2.3369	2.3369	3.0694	2.5027	2.5027
Cl4	1.7843	2.7181	2.3369		2.9347	2.9287	2.8913	3.6862
Cl5	1.7843	2.7181	2.3369	2.9347		2.9287	3.6862	2.8913
H6	2.1534	1.0917	3.0694	2.9287	2.9287		1.7794	1.7794
H7	2.1443	1.0928	2.5027	2.8913	3.6862	1.7794		1.7816
H8	2.1443	1.0928	2.5027	3.6862	2.8913	1.7794	1.7816

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.338	C1	C2	H7	109.555
C1	C2	H8	109.555	C2	C1	H3	111.902
C2	C1	Cl4	110.670	C2	C1	Cl5	110.670
H3	C1	Cl4	106.399	H3	C1	Cl5	106.399
Cl4	C1	Cl5	110.647	H6	C2	H7	109.083
H6	C2	H8	109.083	H7	C2	H8	109.207

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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