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	hartrees
Energy at 0K	-1036.830905
Energy at 298.15K
HF Energy	-1036.074927
Nuclear repulsion energy	295.587644

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3248	3022	9.61
2	A₁	3144	2925	13.28
3	A₁	1541	1434	3.30
4	A₁	1485	1382	5.08
5	A₁	1233	1147	28.14
6	A₁	973	905	7.44
7	A₁	591	550	13.63
8	A₁	379	352	0.30
9	A₁	268	250	1.01
10	A₂	3226	3002	0.00
11	A₂	1527	1421	0.00
12	A₂	1065	991	0.00
13	A₂	293	273	0.00
14	A₂	278	259	0.00
15	B₁	3231	3006	21.98
16	B₁	1546	1439	7.42
17	B₁	1192	1109	75.31
18	B₁	724	673	79.18
19	B₁	375	349	1.58
20	B₁	315	293	0.01
21	B₂	3246	3021	5.65
22	B₂	3140	2921	6.69
23	B₂	1528	1422	3.88
24	B₂	1467	1365	12.86
25	B₂	1264	1176	3.91
26	B₂	991	922	0.01
27	B₂	404	376	2.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.334
Cl2	1.460	0.000	-0.717
Cl3	-1.460	0.000	-0.717
C4	0.000	1.266	1.174
C5	0.000	-1.266	1.174
H6	0.000	2.150	0.542
H7	0.000	-2.150	0.542
H8	-0.887	1.281	1.805
H9	0.887	1.281	1.805
H10	0.887	-1.281	1.805
H11	-0.887	-1.281	1.805

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.7986	1.7986	1.5199	1.5199	2.1600	2.1600	2.1427	2.1427	2.1427	2.1427
Cl2	1.7986		2.9194	2.7039	2.7039	2.8875	2.8875	3.6753	2.8858	2.8858	3.6753
Cl3	1.7986	2.9194		2.7039	2.7039	2.8875	2.8875	2.8858	3.6753	3.6753	2.8858
C4	1.5199	2.7039	2.7039		2.5330	1.0864	3.4744	1.0886	1.0886	2.7701	2.7701
C5	1.5199	2.7039	2.7039	2.5330		3.4744	1.0864	2.7701	2.7701	1.0886	1.0886
H6	2.1600	2.8875	2.8875	1.0864	3.4744		4.2999	1.7713	1.7713	3.7619	3.7619
H7	2.1600	2.8875	2.8875	3.4744	1.0864	4.2999		3.7619	3.7619	1.7713	1.7713
H8	2.1427	3.6753	2.8858	1.0886	2.7701	1.7713	3.7619		1.7744	3.1161	2.5616
H9	2.1427	2.8858	3.6753	1.0886	2.7701	1.7713	3.7619	1.7744		2.5616	3.1161
H10	2.1427	2.8858	3.6753	2.7701	1.0886	3.7619	1.7713	3.1161	2.5616		1.7744
H11	2.1427	3.6753	2.8858	2.7701	1.0886	3.7619	1.7713	2.5616	3.1161	1.7744

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.849	C1	C4	H8	109.345
C1	C4	H9	109.345	C1	C5	H7	110.849
C1	C5	H10	109.345	C1	C5	H11	109.345
Cl2	C1	Cl3	108.500	Cl2	C1	C4	108.845
Cl2	C1	C5	108.845	Cl3	C1	C4	108.845
Cl3	C1	C5	108.845	C4	C1	C5	112.875
H6	C4	H8	109.055	H6	C4	H9	109.055
H7	C5	H10	109.055	H7	C5	H11	109.055
H8	C4	H9	109.166	H10	C5	H11	109.166

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

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

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