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	hartrees
Energy at 0K	-1036.866192
Energy at 298.15K
HF Energy	-1036.074956
Nuclear repulsion energy	295.852976

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3252	3029	9.53
2	A₁	3146	2931	13.10
3	A₁	1543	1438	3.37
4	A₁	1488	1386	5.31
5	A₁	1234	1150	28.06
6	A₁	974	908	7.31
7	A₁	592	552	13.43
8	A₁	379	353	0.30
9	A₁	269	250	1.01
10	A₂	3230	3009	0.00
11	A₂	1529	1424	0.00
12	A₂	1067	994	0.00
13	A₂	295	274	0.00
14	A₂	280	261	0.00
15	B₁	3235	3013	21.67
16	B₁	1548	1442	7.55
17	B₁	1193	1112	75.21
18	B₁	725	675	78.46
19	B₁	376	350	1.57
20	B₁	317	295	0.01
21	B₂	3250	3028	5.56
22	B₂	3142	2927	6.66
23	B₂	1530	1425	3.91
24	B₂	1470	1370	13.28
25	B₂	1265	1179	3.87
26	B₂	992	925	0.01
27	B₂	405	377	2.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.333
Cl2	1.458	0.000	-0.717
Cl3	-1.458	0.000	-0.717
C4	0.000	1.265	1.173
C5	0.000	-1.265	1.173
H6	0.000	2.148	0.542
H7	0.000	-2.148	0.542
H8	-0.886	1.280	1.803
H9	0.886	1.280	1.803
H10	0.886	-1.280	1.803
H11	-0.886	-1.280	1.803

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.7971	1.7971	1.5183	1.5183	2.1580	2.1580	2.1410	2.1410	2.1410	2.1410
Cl2	1.7971		2.9169	2.7015	2.7015	2.8852	2.8852	3.6722	2.8836	2.8836	3.6722
Cl3	1.7971	2.9169		2.7015	2.7015	2.8852	2.8852	2.8836	3.6722	3.6722	2.8836
C4	1.5183	2.7015	2.7015		2.5297	1.0853	3.4706	1.0875	1.0875	2.7671	2.7671
C5	1.5183	2.7015	2.7015	2.5297		3.4706	1.0853	2.7671	2.7671	1.0875	1.0875
H6	2.1580	2.8852	2.8852	1.0853	3.4706		4.2957	1.7692	1.7692	3.7581	3.7581
H7	2.1580	2.8852	2.8852	3.4706	1.0853	4.2957		3.7581	3.7581	1.7692	1.7692
H8	2.1410	3.6722	2.8836	1.0875	2.7671	1.7692	3.7581		1.7723	3.1129	2.5592
H9	2.1410	2.8836	3.6722	1.0875	2.7671	1.7692	3.7581	1.7723		2.5592	3.1129
H10	2.1410	2.8836	3.6722	2.7671	1.0875	3.7581	1.7692	3.1129	2.5592		1.7723
H11	2.1410	3.6722	2.8836	2.7671	1.0875	3.7581	1.7692	2.5592	3.1129	1.7723

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.862	C1	C4	H8	109.381
C1	C4	H9	109.381	C1	C5	H7	110.862
C1	C5	H10	109.381	C1	C5	H11	109.381
Cl2	C1	Cl3	108.501	Cl2	C1	C4	108.855
Cl2	C1	C5	108.855	Cl3	C1	C4	108.855
Cl3	C1	C5	108.855	C4	C1	C5	112.833
H6	C4	H8	109.024	H6	C4	H9	109.024
H7	C5	H10	109.024	H7	C5	H11	109.024
H8	C4	H9	109.144	H10	C5	H11	109.144

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

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

States and conformations

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