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	hartrees
Energy at 0K	-1037.140224
Energy at 298.15K
HF Energy	-1036.181157
Nuclear repulsion energy	296.009690

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3178	2967	8.04
2	A₁	3079	2875	11.32
3	A₁	1512	1412	3.30
4	A₁	1442	1347	4.85
5	A₁	1209	1129	29.03
6	A₁	958	894	6.87
7	A₁	583	545	12.23
8	A₁	367	343	0.37
9	A₁	261	244	1.05
10	A₂	3155	2946	0.00
11	A₂	1500	1400	0.00
12	A₂	1040	971	0.00
13	A₂	287	268	0.00
14	A₂	268	250	0.00
15	B₁	3161	2951	19.19
16	B₁	1521	1420	4.69
17	B₁	1165	1088	73.15
18	B₁	716	668	69.74
19	B₁	364	340	1.69
20	B₁	307	286	0.00
21	B₂	3176	2966	4.64
22	B₂	3075	2871	4.47
23	B₂	1498	1399	3.46
24	B₂	1428	1333	12.64
25	B₂	1243	1160	3.98
26	B₂	970	905	0.01
27	B₂	394	368	2.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.335
Cl2	1.458	0.000	-0.716
Cl3	-1.458	0.000	-0.716
C4	0.000	1.265	1.171
C5	0.000	-1.265	1.171
H6	0.000	2.145	0.533
H7	0.000	-2.145	0.533
H8	-0.888	1.281	1.801
H9	0.888	1.281	1.801
H10	0.888	-1.281	1.801
H11	-0.888	-1.281	1.801

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.7969	1.7969	1.5162	1.5162	2.1543	2.1543	2.1403	2.1403	2.1403	2.1403
Cl2	1.7969		2.9159	2.6988	2.6988	2.8787	2.8787	3.6714	2.8810	2.8810	3.6714
Cl3	1.7969	2.9159		2.6988	2.6988	2.8787	2.8787	2.8810	3.6714	3.6714	2.8810
C4	1.5162	2.6988	2.6988		2.5298	1.0867	3.4690	1.0891	1.0891	2.7695	2.7695
C5	1.5162	2.6988	2.6988	2.5298		3.4690	1.0867	2.7695	2.7695	1.0891	1.0891
H6	2.1543	2.8787	2.8787	1.0867	3.4690		4.2901	1.7724	1.7724	3.7599	3.7599
H7	2.1543	2.8787	2.8787	3.4690	1.0867	4.2901		3.7599	3.7599	1.7724	1.7724
H8	2.1403	3.6714	2.8810	1.0891	2.7695	1.7724	3.7599		1.7761	3.1182	2.5630
H9	2.1403	2.8810	3.6714	1.0891	2.7695	1.7724	3.7599	1.7761		2.5630	3.1182
H10	2.1403	2.8810	3.6714	2.7695	1.0891	3.7599	1.7724	3.1182	2.5630		1.7761
H11	2.1403	3.6714	2.8810	2.7695	1.0891	3.7599	1.7724	2.5630	3.1182	1.7761

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.634	C1	C4	H8	109.379
C1	C4	H9	109.379	C1	C5	H7	110.634
C1	C5	H10	109.379	C1	C5	H11	109.379
Cl2	C1	Cl3	108.466	Cl2	C1	C4	108.800
Cl2	C1	C5	108.800	Cl3	C1	C4	108.800
Cl3	C1	C5	108.800	C4	C1	C5	113.078
H6	C4	H8	109.090	H6	C4	H9	109.090
H7	C5	H10	109.090	H7	C5	H11	109.090
H8	C4	H9	109.248	H10	C5	H11	109.248

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

using model chemistry: CCD/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: CCD/cc-pVTZ

States and conformations

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