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	hartrees
Energy at 0K	-1037.121088
Energy at 298.15K
HF Energy	-1036.167320
Nuclear repulsion energy	296.558821

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3176	2995	7.91
2	A₁	3075	2900	10.99
3	A₁	1518	1431	4.68
4	A₁	1448	1366	4.77
5	A₁	1210	1141	27.01
6	A₁	958	904	6.07
7	A₁	589	555	11.24
8	A₁	371	350	0.38
9	A₁	267	252	1.02
10	A₂	3154	2974	0.00
11	A₂	1506	1420	0.00
12	A₂	1044	984	0.00
13	A₂	292	275	0.00
14	A₂	277	261	0.00
15	B₁	3160	2980	17.77
16	B₁	1527	1440	5.54
17	B₁	1168	1102	74.28
18	B₁	726	685	68.98
19	B₁	369	348	1.70
20	B₁	313	295	0.01
21	B₂	3174	2993	4.22
22	B₂	3070	2896	4.37
23	B₂	1504	1419	3.80
24	B₂	1432	1351	12.87
25	B₂	1240	1169	2.85
26	B₂	970	915	0.03
27	B₂	400	377	2.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.332
Cl2	1.451	0.000	-0.715
Cl3	-1.451	0.000	-0.715
C4	0.000	1.265	1.171
C5	0.000	-1.265	1.171
H6	0.000	2.147	0.534
H7	0.000	-2.147	0.534
H8	-0.889	1.281	1.801
H9	0.889	1.281	1.801
H10	0.889	-1.281	1.801
H11	-0.889	-1.281	1.801

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.7895	1.7895	1.5182	1.5182	2.1564	2.1564	2.1427	2.1427	2.1427	2.1427
Cl2	1.7895		2.9030	2.6952	2.6952	2.8767	2.8767	3.6675	2.8793	2.8793	3.6675
Cl3	1.7895	2.9030		2.6952	2.6952	2.8767	2.8767	2.8793	3.6675	3.6675	2.8793
C4	1.5182	2.6952	2.6952		2.5307	1.0876	3.4712	1.0899	1.0899	2.7699	2.7699
C5	1.5182	2.6952	2.6952	2.5307		3.4712	1.0876	2.7699	2.7699	1.0899	1.0899
H6	2.1564	2.8767	2.8767	1.0876	3.4712		4.2938	1.7737	1.7737	3.7614	3.7614
H7	2.1564	2.8767	2.8767	3.4712	1.0876	4.2938		3.7614	3.7614	1.7737	1.7737
H8	2.1427	3.6675	2.8793	1.0899	2.7699	1.7737	3.7614		1.7777	3.1187	2.5624
H9	2.1427	2.8793	3.6675	1.0899	2.7699	1.7737	3.7614	1.7777		2.5624	3.1187
H10	2.1427	2.8793	3.6675	2.7699	1.0899	3.7614	1.7737	3.1187	2.5624		1.7777
H11	2.1427	3.6675	2.8793	2.7699	1.0899	3.7614	1.7737	2.5624	3.1187	1.7777

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.603	C1	C4	H8	109.382
C1	C4	H9	109.382	C1	C5	H7	110.603
C1	C5	H10	109.382	C1	C5	H11	109.382
Cl2	C1	Cl3	108.404	Cl2	C1	C4	108.859
Cl2	C1	C5	108.859	Cl3	C1	C4	108.859
Cl3	C1	C5	108.859	C4	C1	C5	112.905
H6	C4	H8	109.089	H6	C4	H9	109.089
H7	C5	H10	109.089	H7	C5	H11	109.089
H8	C4	H9	109.275	H10	C5	H11	109.275

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

using model chemistry: CCD/6-311+G(3df,2p)

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: CCD/6-311+G(3df,2p)

States and conformations

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