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	hartrees
Energy at 0K	-1036.855533
Energy at 298.15K
HF Energy	-1036.073052
Nuclear repulsion energy	296.066636

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3265	3265	9.07
2	A₁	3158	3158	10.88
3	A₁	1557	1557	2.02
4	A₁	1493	1493	4.50
5	A₁	1241	1241	28.32
6	A₁	978	978	7.41
7	A₁	595	595	13.90
8	A₁	380	380	0.32
9	A₁	271	271	1.17
10	A₂	3243	3243	0.00
11	A₂	1546	1546	0.00
12	A₂	1069	1069	0.00
13	A₂	297	297	0.00
14	A₂	285	285	0.00
15	B₁	3248	3248	20.97
16	B₁	1567	1567	6.12
17	B₁	1200	1200	75.76
18	B₁	732	732	77.66
19	B₁	375	375	1.39
20	B₁	322	322	0.02
21	B₂	3263	3263	5.55
22	B₂	3154	3154	5.08
23	B₂	1544	1544	3.76
24	B₂	1475	1475	10.61
25	B₂	1272	1272	5.10
26	B₂	995	995	0.06
27	B₂	403	403	3.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.331
Cl2	1.460	0.000	-0.715
Cl3	-1.460	0.000	-0.715
C4	0.000	1.264	1.170
C5	0.000	-1.264	1.170
H6	0.000	2.144	0.536
H7	0.000	-2.144	0.536
H8	-0.886	1.279	1.799
H9	0.886	1.279	1.799
H10	0.886	-1.279	1.799
H11	-0.886	-1.279	1.799

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.7955	1.7955	1.5173	1.5173	2.1541	2.1541	2.1394	2.1394	2.1394	2.1394
Cl2	1.7955		2.9191	2.6982	2.6982	2.8797	2.8797	3.6684	2.8785	2.8785	3.6684
Cl3	1.7955	2.9191		2.6982	2.6982	2.8797	2.8797	2.8785	3.6684	3.6684	2.8785
C4	1.5173	2.6982	2.6982		2.5288	1.0845	3.4671	1.0867	1.0867	2.7662	2.7662
C5	1.5173	2.6982	2.6982	2.5288		3.4671	1.0845	2.7662	2.7662	1.0867	1.0867
H6	2.1541	2.8797	2.8797	1.0845	3.4671		4.2886	1.7687	1.7687	3.7553	3.7553
H7	2.1541	2.8797	2.8797	3.4671	1.0845	4.2886		3.7553	3.7553	1.7687	1.7687
H8	2.1394	3.6684	2.8785	1.0867	2.7662	1.7687	3.7553		1.7715	3.1123	2.5590
H9	2.1394	2.8785	3.6684	1.0867	2.7662	1.7687	3.7553	1.7715		2.5590	3.1123
H10	2.1394	2.8785	3.6684	2.7662	1.0867	3.7553	1.7687	3.1123	2.5590		1.7715
H11	2.1394	3.6684	2.8785	2.7662	1.0867	3.7553	1.7687	2.5590	3.1123	1.7715

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.673	C1	C4	H8	109.373
C1	C4	H9	109.373	C1	C5	H7	110.673
C1	C5	H10	109.373	C1	C5	H11	109.373
Cl2	C1	Cl3	108.758	Cl2	C1	C4	108.782
Cl2	C1	C5	108.782	Cl3	C1	C4	108.782
Cl3	C1	C5	108.782	C4	C1	C5	112.880
H6	C4	H8	109.100	H6	C4	H9	109.100
H7	C5	H10	109.100	H7	C5	H11	109.100
H8	C4	H9	109.199	H10	C5	H11	109.199

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G**

States and conformations

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