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	hartrees
Energy at 0K	-146.798764
Energy at 298.15K
HF Energy	-146.458424
Nuclear repulsion energy	145.006109

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3164	3047	14.61	61.73	0.74	0.85
2	A₁	3039	2927	19.75	265.26	0.00	0.01
3	A₁	1527	1471	4.23	18.54	0.75	0.86
4	A₁	1473	1419	4.92	0.48	0.56	0.72
5	A₁	1224	1179	46.14	2.57	0.21	0.34
6	A₁	925	891	7.42	11.80	0.75	0.86
7	A₁	523	504	14.02	20.06	0.06	0.11
8	A₁	355	342	1.39	4.46	0.39	0.56
9	A₁	244	235	1.33	6.58	0.69	0.82
10	A₂	3142	3026	0.00	8.61	0.75	0.86
11	A₂	1520	1464	0.00	22.87	0.75	0.86
12	A₂	1063	1024	0.00	7.60	0.75	0.86
13	A₂	280	270	0.00	2.54	0.75	0.86
14	A₂	261	252	0.00	0.01	0.75	0.86
15	B₁	3147	3031	32.61	110.74	0.75	0.86
16	B₁	1536	1479	16.25	0.03	0.75	0.86
17	B₁	1184	1141	77.30	1.41	0.75	0.86
18	B₁	636	613	62.80	18.39	0.75	0.86
19	B₁	357	344	2.44	4.44	0.75	0.86
20	B₁	302	291	0.03	0.00	0.75	0.86
21	B₂	3161	3045	12.76	35.72	0.75	0.86
22	B₂	3036	2924	8.99	0.01	0.75	0.86
23	B₂	1514	1458	6.50	0.01	0.75	0.86
24	B₂	1455	1401	15.83	1.37	0.75	0.86
25	B₂	1243	1197	17.09	0.03	0.75	0.86
26	B₂	982	946	0.05	1.65	0.75	0.86
27	B₂	377	363	4.29	3.11	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.378
Cl2	1.531	0.000	-0.741
Cl3	-1.531	0.000	-0.741
C4	0.000	1.302	1.206
C5	0.000	-1.302	1.206
H6	0.000	2.184	0.547
H7	0.000	-2.184	0.547
H8	-0.901	1.330	1.843
H9	0.901	1.330	1.843
H10	0.901	-1.330	1.843
H11	-0.901	-1.330	1.843

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8964	1.8964	1.5428	1.5428	2.1904	2.1904	2.1742	2.1742	2.1742	2.1742
Cl2	1.8964		3.0621	2.7981	2.7981	2.9618	2.9618	3.7896	2.9742	2.9742	3.7896
Cl3	1.8964	3.0621		2.7981	2.7981	2.9618	2.9618	2.9742	3.7896	3.7896	2.9742
C4	1.5428	2.7981	2.7981		2.6035	1.1012	3.5474	1.1037	1.1037	2.8535	2.8535
C5	1.5428	2.7981	2.7981	2.6035		3.5474	1.1012	2.8535	2.8535	1.1037	1.1037
H6	2.1904	2.9618	2.9618	1.1012	3.5474		4.3678	1.7950	1.7950	3.8520	3.8520
H7	2.1904	2.9618	2.9618	3.5474	1.1012	4.3678		3.8520	3.8520	1.7950	1.7950
H8	2.1742	3.7896	2.9742	1.1037	2.8535	1.7950	3.8520		1.8010	3.2120	2.6595
H9	2.1742	2.9742	3.7896	1.1037	2.8535	1.7950	3.8520	1.8010		2.6595	3.2120
H10	2.1742	2.9742	3.7896	2.8535	1.1037	3.8520	1.7950	3.2120	2.6595		1.8010
H11	2.1742	3.7896	2.9742	2.8535	1.1037	3.8520	1.7950	2.6595	3.2120	1.8010

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.774	C1	C4	H8	109.356
C1	C4	H9	109.356	C1	C5	H7	110.774
C1	C5	H10	109.356	C1	C5	H11	109.356
Cl2	C1	Cl3	107.678	Cl2	C1	C4	108.463
Cl2	C1	C5	108.463	Cl3	C1	C4	108.463
Cl3	C1	C5	108.463	C4	C1	C5	115.080
H6	C4	H8	108.991	H6	C4	H9	108.991
H7	C5	H10	108.991	H7	C5	H11	108.991
H8	C4	H9	109.351	H10	C5	H11	109.351

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

using model chemistry: MP2/LANL2DZ

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: MP2/LANL2DZ

States and conformations

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