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	hartrees
Energy at 0K	-1037.143679
Energy at 298.15K
HF Energy	-1036.181220
Nuclear repulsion energy	295.921672

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3195	3018	7.38
2	A₁	3096	2925	10.87
3	A₁	1513	1429	3.27
4	A₁	1443	1363	5.19
5	A₁	1208	1141	30.23
6	A₁	957	904	7.23
7	A₁	582	550	12.98
8	A₁	367	347	0.41
9	A₁	260	246	1.06
10	A₂	3172	2996	0.00
11	A₂	1500	1417	0.00
12	A₂	1039	982	0.00
13	A₂	287	271	0.00
14	A₂	266	252	0.00
15	B₁	3177	3001	18.40
16	B₁	1521	1437	4.73
17	B₁	1163	1099	74.52
18	B₁	707	668	73.56
19	B₁	364	344	1.83
20	B₁	305	288	0.00
21	B₂	3193	3017	4.22
22	B₂	3092	2921	3.88
23	B₂	1498	1416	3.49
24	B₂	1429	1350	13.52
25	B₂	1245	1176	4.29
26	B₂	970	916	0.01
27	B₂	394	372	2.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.336
Cl2	1.459	0.000	-0.716
Cl3	-1.459	0.000	-0.716
C4	0.000	1.265	1.171
C5	0.000	-1.265	1.171
H6	0.000	2.144	0.533
H7	0.000	-2.144	0.533
H8	-0.887	1.281	1.800
H9	0.887	1.281	1.800
H10	0.887	-1.281	1.800
H11	-0.887	-1.281	1.800

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.7986	1.7986	1.5157	1.5157	2.1528	2.1528	2.1384	2.1384	2.1384	2.1384
Cl2	1.7986		2.9186	2.6996	2.6996	2.8783	2.8783	3.6710	2.8805	2.8805	3.6710
Cl3	1.7986	2.9186		2.6996	2.6996	2.8783	2.8783	2.8805	3.6710	3.6710	2.8805
C4	1.5157	2.6996	2.6996		2.5303	1.0853	3.4679	1.0879	1.0879	2.7691	2.7691
C5	1.5157	2.6996	2.6996	2.5303		3.4679	1.0853	2.7691	2.7691	1.0879	1.0879
H6	2.1528	2.8783	2.8783	1.0853	3.4679		4.2874	1.7706	1.7706	3.7580	3.7580
H7	2.1528	2.8783	2.8783	3.4679	1.0853	4.2874		3.7580	3.7580	1.7706	1.7706
H8	2.1384	3.6710	2.8805	1.0879	2.7691	1.7706	3.7580		1.7745	3.1172	2.5628
H9	2.1384	2.8805	3.6710	1.0879	2.7691	1.7706	3.7580	1.7745		2.5628	3.1172
H10	2.1384	2.8805	3.6710	2.7691	1.0879	3.7580	1.7706	3.1172	2.5628		1.7745
H11	2.1384	3.6710	2.8805	2.7691	1.0879	3.7580	1.7706	2.5628	3.1172	1.7745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.628	C1	C4	H8	109.335
C1	C4	H9	109.335	C1	C5	H7	110.628
C1	C5	H10	109.335	C1	C5	H11	109.335
Cl2	C1	Cl3	108.457	Cl2	C1	C4	108.780
Cl2	C1	C5	108.780	Cl3	C1	C4	108.780
Cl3	C1	C5	108.780	C4	C1	C5	113.166
H6	C4	H8	109.122	H6	C4	H9	109.122
H7	C5	H10	109.122	H7	C5	H11	109.122
H8	C4	H9	109.278	H10	C5	H11	109.278

All results from a given calculation for CH₃CCl₂CH₃ (Propane, 2,2-dichloro-)

using model chemistry: MP3/cc-pVTZ

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 CH3CCl2CH3 (Propane, 2,2-dichloro-)

using model chemistry: MP3/cc-pVTZ

States and conformations

All results from a given calculation for CH₃CCl₂CH₃ (Propane, 2,2-dichloro-)