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	hartrees
Energy at 0K	-1036.937589
Energy at 298.15K
HF Energy	-1036.143639
Nuclear repulsion energy	295.396899

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3171	3171	10.71
2	A₁	3075	3075	12.65
3	A₁	1513	1513	2.37
4	A₁	1459	1459	3.49
5	A₁	1217	1217	30.57
6	A₁	965	965	6.26
7	A₁	587	587	12.93
8	A₁	375	375	0.42
9	A₁	271	271	0.66
10	A₂	3151	3151	0.00
11	A₂	1495	1495	0.00
12	A₂	1047	1047	0.00
13	A₂	297	297	0.00
14	A₂	286	286	0.00
15	B₁	3156	3156	24.27
16	B₁	1515	1515	4.14
17	B₁	1173	1173	78.91
18	B₁	720	720	83.10
19	B₁	374	374	1.52
20	B₁	331	331	0.01
21	B₂	3169	3169	6.06
22	B₂	3071	3071	5.32
23	B₂	1498	1498	2.68
24	B₂	1439	1439	10.20
25	B₂	1249	1249	4.34
26	B₂	978	978	0.06
27	B₂	399	399	2.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.331
Cl2	1.462	0.000	-0.714
Cl3	-1.462	0.000	-0.714
C4	0.000	1.270	1.169
C5	0.000	-1.270	1.169
H6	0.000	2.154	0.528
H7	0.000	-2.154	0.528
H8	-0.893	1.288	1.802
H9	0.893	1.288	1.802
H10	0.893	-1.288	1.802
H11	-0.893	-1.288	1.802

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.7976	1.7976	1.5215	1.5215	2.1633	2.1633	2.1491	2.1491	2.1491	2.1491
Cl2	1.7976		2.9248	2.7016	2.7016	2.8850	2.8850	3.6793	2.8831	2.8831	3.6793
Cl3	1.7976	2.9248		2.7016	2.7016	2.8850	2.8850	2.8831	3.6793	3.6793	2.8831
C4	1.5215	2.7016	2.7016		2.5397	1.0923	3.4836	1.0945	1.0945	2.7820	2.7820
C5	1.5215	2.7016	2.7016	2.5397		3.4836	1.0923	2.7820	2.7820	1.0945	1.0945
H6	2.1633	2.8850	2.8850	1.0923	3.4836		4.3085	1.7805	1.7805	3.7772	3.7772
H7	2.1633	2.8850	2.8850	3.4836	1.0923	4.3085		3.7772	3.7772	1.7805	1.7805
H8	2.1491	3.6793	2.8831	1.0945	2.7820	1.7805	3.7772		1.7864	3.1345	2.5756
H9	2.1491	2.8831	3.6793	1.0945	2.7820	1.7805	3.7772	1.7864		2.5756	3.1345
H10	2.1491	2.8831	3.6793	2.7820	1.0945	3.7772	1.7805	3.1345	2.5756		1.7864
H11	2.1491	3.6793	2.8831	2.7820	1.0945	3.7772	1.7805	2.5756	3.1345	1.7864

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.639	C1	C4	H8	109.386
C1	C4	H9	109.386	C1	C5	H7	110.639
C1	C5	H10	109.386	C1	C5	H11	109.386
Cl2	C1	Cl3	108.885	Cl2	C1	C4	108.683
Cl2	C1	C5	108.683	Cl3	C1	C4	108.683
Cl3	C1	C5	108.683	C4	C1	C5	113.147
H6	C4	H8	109.013	H6	C4	H9	109.013
H7	C5	H10	109.013	H7	C5	H11	109.013
H8	C4	H9	109.383	H10	C5	H11	109.383

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

using model chemistry: CCSD/6-311G**

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: CCSD/6-311G**

States and conformations

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