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	hartrees
Energy at 0K	-1038.436910
Energy at 298.15K
HF Energy	-1038.436910
Nuclear repulsion energy	293.122682

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	3144	3030	8.31	76.47	0.71	0.83
2	A₁	3047	2937	14.40	297.14	0.01	0.01
3	A₁	1500	1446	2.56	13.32	0.71	0.83
4	A₁	1433	1381	3.86	1.22	0.11	0.19
5	A₁	1183	1140	40.39	2.32	0.22	0.36
6	A₁	912	879	13.19	6.94	0.75	0.86
7	A₁	546	526	20.72	15.05	0.04	0.08
8	A₁	350	338	0.80	2.64	0.43	0.60
9	A₁	244	235	1.17	4.46	0.61	0.76
10	A₂	3114	3001	0.00	15.07	0.75	0.86
11	A₂	1490	1436	0.00	14.58	0.75	0.86
12	A₂	1027	990	0.00	1.78	0.75	0.86
13	A₂	273	263	0.00	1.42	0.75	0.86
14	A₂	264	254	0.00	0.17	0.75	0.86
15	B₁	3120	3006	23.58	131.24	0.75	0.86
16	B₁	1511	1456	5.03	0.17	0.75	0.86
17	B₁	1137	1096	83.29	2.61	0.75	0.86
18	B₁	619	597	115.52	15.06	0.75	0.86
19	B₁	348	335	3.73	2.13	0.75	0.86
20	B₁	297	286	0.00	0.02	0.75	0.86
21	B₂	3143	3029	6.34	38.01	0.75	0.86
22	B₂	3043	2932	4.52	3.75	0.75	0.86
23	B₂	1485	1431	3.52	0.06	0.75	0.86
24	B₂	1415	1363	11.28	1.59	0.75	0.86
25	B₂	1212	1168	10.07	0.48	0.75	0.86
26	B₂	950	915	0.09	1.11	0.75	0.86
27	B₂	375	361	4.24	1.42	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.353
Cl2	1.480	0.000	-0.720
Cl3	-1.480	0.000	-0.720
C4	0.000	1.274	1.174
C5	0.000	-1.274	1.174
H6	0.000	2.151	0.529
H7	0.000	-2.151	0.529
H8	-0.890	1.296	1.807
H9	0.890	1.296	1.807
H10	0.890	-1.296	1.807
H11	-0.890	-1.296	1.807

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8282	1.8282	1.5163	1.5163	2.1585	2.1585	2.1420	2.1420	2.1420	2.1420
Cl2	1.8282		2.9605	2.7212	2.7212	2.8949	2.8949	3.6996	2.9009	2.9009	3.6996
Cl3	1.8282	2.9605		2.7212	2.7212	2.8949	2.8949	2.9009	3.6996	3.6996	2.9009
C4	1.5163	2.7212	2.7212		2.5483	1.0890	3.4857	1.0922	1.0922	2.7928	2.7928
C5	1.5163	2.7212	2.7212	2.5483		3.4857	1.0890	2.7928	2.7928	1.0922	1.0922
H6	2.1585	2.8949	2.8949	1.0890	3.4857		4.3026	1.7766	1.7766	3.7831	3.7831
H7	2.1585	2.8949	2.8949	3.4857	1.0890	4.3026		3.7831	3.7831	1.7766	1.7766
H8	2.1420	3.6996	2.9009	1.0922	2.7928	1.7766	3.7831		1.7805	3.1452	2.5926
H9	2.1420	2.9009	3.6996	1.0922	2.7928	1.7766	3.7831	1.7805		2.5926	3.1452
H10	2.1420	2.9009	3.6996	2.7928	1.0922	3.7831	1.7766	3.1452	2.5926		1.7805
H11	2.1420	3.6996	2.9009	2.7928	1.0922	3.7831	1.7766	2.5926	3.1452	1.7805

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.826	C1	C4	H8	109.323
C1	C4	H9	109.323	C1	C5	H7	110.826
C1	C5	H10	109.323	C1	C5	H11	109.323
Cl2	C1	Cl3	108.129	Cl2	C1	C4	108.550
Cl2	C1	C5	108.550	Cl3	C1	C4	108.550
Cl3	C1	C5	108.550	C4	C1	C5	114.348
H6	C4	H8	109.075	H6	C4	H9	109.075
H7	C5	H10	109.075	H7	C5	H11	109.075
H8	C4	H9	109.194	H10	C5	H11	109.194

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

using model chemistry: TPSSh/TZVP

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	0.022
2	Cl	-0.112
3	Cl	-0.112
4	C	-0.296
5	C	-0.296
6	H	0.151
7	H	0.151
8	H	0.123
9	H	0.123
10	H	0.123
11	H	0.123

<r²>	189.651
(<r²>)^1/2	13.771

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

using model chemistry: TPSSh/TZVP

States and conformations

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