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	hartrees
Energy at 0K	-1036.169094
Energy at 298.15K
HF Energy	-1036.169094
Nuclear repulsion energy	296.439774

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	3276	2970	14.05	69.19	0.71	0.83
2	A₁	3188	2890	19.81	266.99	0.01	0.01
3	A₁	1610	1459	3.42	9.83	0.75	0.86
4	A₁	1554	1408	2.96	0.20	0.74	0.85
5	A₁	1287	1167	31.27	2.41	0.57	0.73
6	A₁	991	898	11.13	8.60	0.69	0.81
7	A₁	601	545	18.80	17.06	0.03	0.07
8	A₁	389	353	0.79	2.05	0.32	0.48
9	A₁	276	250	1.17	2.78	0.65	0.79
10	A₂	3248	2944	0.00	10.69	0.75	0.86
11	A₂	1599	1449	0.00	10.17	0.75	0.86
12	A₂	1120	1015	0.00	0.95	0.75	0.86
13	A₂	304	275	0.00	1.19	0.75	0.86
14	A₂	286	259	0.00	0.02	0.75	0.86
15	B₁	3256	2951	33.09	113.91	0.75	0.86
16	B₁	1619	1468	4.62	0.04	0.75	0.86
17	B₁	1241	1125	87.56	4.08	0.75	0.86
18	B₁	732	663	108.72	16.64	0.75	0.86
19	B₁	385	349	3.42	1.61	0.75	0.86
20	B₁	323	293	0.01	0.01	0.75	0.86
21	B₂	3274	2967	9.66	32.53	0.75	0.86
22	B₂	3181	2884	7.61	1.15	0.75	0.86
23	B₂	1596	1447	4.12	0.04	0.75	0.86
24	B₂	1537	1393	7.81	0.08	0.75	0.86
25	B₂	1300	1178	3.14	2.68	0.75	0.86
26	B₂	1029	932	0.02	2.08	0.75	0.86
27	B₂	418	379	3.11	1.03	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.337
Cl2	1.452	0.000	-0.717
Cl3	-1.452	0.000	-0.717
C4	0.000	1.266	1.172
C5	0.000	-1.266	1.172
H6	0.000	2.142	0.541
H7	0.000	-2.142	0.541
H8	-0.882	1.284	1.799
H9	0.882	1.284	1.799
H10	0.882	-1.284	1.799
H11	-0.882	-1.284	1.799

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.7945	1.7945	1.5170	1.5170	2.1515	2.1515	2.1363	2.1363	2.1363	2.1363
Cl2	1.7945		2.9047	2.6985	2.6985	2.8773	2.8773	3.6643	2.8819	2.8819	3.6643
Cl3	1.7945	2.9047		2.6985	2.6985	2.8773	2.8773	2.8819	3.6643	3.6643	2.8819
C4	1.5170	2.6985	2.6985		2.5330	1.0793	3.4663	1.0820	1.0820	2.7705	2.7705
C5	1.5170	2.6985	2.6985	2.5330		3.4663	1.0793	2.7705	2.7705	1.0820	1.0820
H6	2.1515	2.8773	2.8773	1.0793	3.4663		4.2836	1.7596	1.7596	3.7546	3.7546
H7	2.1515	2.8773	2.8773	3.4663	1.0793	4.2836		3.7546	3.7546	1.7596	1.7596
H8	2.1363	3.6643	2.8819	1.0820	2.7705	1.7596	3.7546		1.7632	3.1152	2.5682
H9	2.1363	2.8819	3.6643	1.0820	2.7705	1.7596	3.7546	1.7632		2.5682	3.1152
H10	2.1363	2.8819	3.6643	2.7705	1.0820	3.7546	1.7596	3.1152	2.5682		1.7632
H11	2.1363	3.6643	2.8819	2.7705	1.0820	3.7546	1.7596	2.5682	3.1152	1.7632

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.796	C1	C4	H8	109.425
C1	C4	H9	109.425	C1	C5	H7	110.796
C1	C5	H10	109.425	C1	C5	H11	109.425
Cl2	C1	Cl3	108.061	Cl2	C1	C4	108.864
Cl2	C1	C5	108.864	Cl3	C1	C4	108.864
Cl3	C1	C5	108.864	C4	C1	C5	113.200
H6	C4	H8	109.015	H6	C4	H9	109.015
H7	C5	H10	109.015	H7	C5	H11	109.015
H8	C4	H9	109.139	H10	C5	H11	109.139

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

using model chemistry: HF/Def2TZVPP

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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Number	Element	Mulliken
1	C	0.303
2	Cl	-0.168
3	Cl	-0.168
4	C	-0.211
5	C	-0.211
6	H	0.091
7	H	0.091
8	H	0.068
9	H	0.068
10	H	0.068
11	H	0.068

<r²>	186.213
(<r²>)^1/2	13.646

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

using model chemistry: HF/Def2TZVPP

States and conformations

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