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	hartrees
Energy at 0K	-1036.388568
Energy at 298.15K
HF Energy	-1035.971893
Nuclear repulsion energy	285.367622

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3133	3019	7.53
2	A₁	3031	2921	13.73
3	A₁	1538	1482	2.91
4	A₁	1488	1434	5.21
5	A₁	1232	1187	35.02
6	A₁	929	895	8.00
7	A₁	519	500	18.35
8	A₁	360	347	1.39
9	A₁	239	231	1.28
10	A₂	3103	2990	0.00
11	A₂	1530	1474	0.00
12	A₂	1068	1029	0.00
13	A₂	278	268	0.00
14	A₂	263	253	0.00
15	B₁	3109	2996	19.96
16	B₁	1545	1489	11.59
17	B₁	1187	1144	84.85
18	B₁	608	586	89.08
19	B₁	354	341	2.19
20	B₁	291	280	0.03
21	B₂	3131	3017	7.13
22	B₂	3027	2917	4.19
23	B₂	1525	1470	6.70
24	B₂	1473	1419	16.27
25	B₂	1251	1206	9.36
26	B₂	996	960	0.14
27	B₂	374	360	4.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.388
Cl2	1.533	0.000	-0.744
Cl3	-1.533	0.000	-0.744
C4	0.000	1.291	1.207
C5	0.000	-1.291	1.207
H6	0.000	2.173	0.552
H7	0.000	-2.173	0.552
H8	-0.898	1.318	1.844
H9	0.898	1.318	1.844
H10	0.898	-1.318	1.844
H11	-0.898	-1.318	1.844

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.9059	1.9059	1.5283	1.5283	2.1793	2.1793	2.1595	2.1595	2.1595	2.1595
Cl2	1.9059		3.0664	2.7966	2.7966	2.9586	2.9586	3.7875	2.9730	2.9730	3.7875
Cl3	1.9059	3.0664		2.7966	2.7966	2.9586	2.9586	2.9730	3.7875	3.7875	2.9730
C4	1.5283	2.7966	2.7966		2.5814	1.0985	3.5251	1.1016	1.1016	2.8317	2.8317
C5	1.5283	2.7966	2.7966	2.5814		3.5251	1.0985	2.8317	2.8317	1.1016	1.1016
H6	2.1793	2.9586	2.9586	1.0985	3.5251		4.3463	1.7906	1.7906	3.8293	3.8293
H7	2.1793	2.9586	2.9586	3.5251	1.0985	4.3463		3.8293	3.8293	1.7906	1.7906
H8	2.1595	3.7875	2.9730	1.1016	2.8317	1.7906	3.8293		1.7959	3.1898	2.6362
H9	2.1595	2.9730	3.7875	1.1016	2.8317	1.7906	3.8293	1.7959		2.6362	3.1898
H10	2.1595	2.9730	3.7875	2.8317	1.1016	3.8293	1.7906	3.1898	2.6362		1.7959
H11	2.1595	3.7875	2.9730	2.8317	1.1016	3.8293	1.7906	2.6362	3.1898	1.7959

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	111.072	C1	C4	H8	109.323
C1	C4	H9	109.323	C1	C5	H7	111.072
C1	C5	H10	109.323	C1	C5	H11	109.323
Cl2	C1	Cl3	107.116	Cl2	C1	C4	108.547
Cl2	C1	C5	108.547	Cl3	C1	C4	108.547
Cl3	C1	C5	108.547	C4	C1	C5	115.248
H6	C4	H8	108.949	H6	C4	H9	108.949
H7	C5	H10	108.949	H7	C5	H11	108.949
H8	C4	H9	109.198	H10	C5	H11	109.198

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

using model chemistry: QCISD/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 CH3CCl2CH3 (Propane, 2,2-dichloro-)

using model chemistry: QCISD/6-31G

States and conformations

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