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	hartrees
Energy at 0K	-1026.518313
Energy at 298.15K
HF Energy	-1026.518313
Nuclear repulsion energy	289.257886

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	3555	3136	2.82	36.89	0.75	0.86
2	A₁	3369	2972	0.47	90.62	0.00	0.01
3	A₁	1661	1465	1.70	25.77	0.75	0.86
4	A₁	1567	1383	2.09	4.45	0.26	0.42
5	A₁	1301	1147	56.37	1.55	0.05	0.10
6	A₁	1012	892	6.06	9.09	0.72	0.84
7	A₁	613	541	13.97	12.94	0.03	0.06
8	A₁	362	320	0.07	1.52	0.46	0.63
9	A₁	248	219	3.96	3.12	0.72	0.84
10	A₂	3541	3123	0.00	4.45	0.75	0.86
11	A₂	1656	1461	0.00	26.54	0.75	0.86
12	A₂	1109	978	0.00	3.89	0.75	0.86
13	A₂	273	240	0.00	1.41	0.75	0.86
14	A₂	234	206	0.00	0.01	0.75	0.86
15	B₁	3542	3125	3.35	59.97	0.75	0.86
16	B₁	1667	1471	6.53	0.34	0.75	0.86
17	B₁	1266	1117	113.75	0.02	0.75	0.86
18	B₁	801	706	54.26	10.48	0.75	0.86
19	B₁	354	312	0.84	1.11	0.75	0.86
20	B₁	257	227	0.00	0.01	0.75	0.86
21	B₂	3554	3135	1.10	18.00	0.75	0.86
22	B₂	3368	2971	1.89	0.00	0.75	0.86
23	B₂	1652	1457	2.79	0.14	0.75	0.86
24	B₂	1554	1371	6.67	7.33	0.75	0.86
25	B₂	1325	1169	24.99	0.02	0.75	0.86
26	B₂	1040	917	0.58	1.96	0.75	0.86
27	B₂	379	334	7.11	2.20	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.346
Cl2	1.502	0.000	-0.729
Cl3	-1.502	0.000	-0.729
C4	0.000	1.294	1.193
C5	0.000	-1.294	1.193
H6	0.000	2.177	0.542
H7	0.000	-2.177	0.542
H8	-0.896	1.312	1.828
H9	0.896	1.312	1.828
H10	0.896	-1.312	1.828
H11	-0.896	-1.312	1.828

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8468	1.8468	1.5468	1.5468	2.1855	2.1855	2.1728	2.1728	2.1728	2.1728
Cl2	1.8468		3.0035	2.7613	2.7613	2.9340	2.9340	3.7430	2.9373	2.9373	3.7430
Cl3	1.8468	3.0035		2.7613	2.7613	2.9340	2.9340	2.9373	3.7430	3.7430	2.9373
C4	1.5468	2.7613	2.7613		2.5881	1.0970	3.5313	1.0984	1.0984	2.8276	2.8276
C5	1.5468	2.7613	2.7613	2.5881		3.5313	1.0970	2.8276	2.8276	1.0984	1.0984
H6	2.1855	2.9340	2.9340	1.0970	3.5313		4.3534	1.7907	1.7907	3.8244	3.8244
H7	2.1855	2.9340	2.9340	3.5313	1.0970	4.3534		3.8244	3.8244	1.7907	1.7907
H8	2.1728	3.7430	2.9373	1.0984	2.8276	1.7907	3.8244		1.7920	3.1768	2.6232
H9	2.1728	2.9373	3.7430	1.0984	2.8276	1.7907	3.8244	1.7920		2.6232	3.1768
H10	2.1728	2.9373	3.7430	2.8276	1.0984	3.8244	1.7907	3.1768	2.6232		1.7920
H11	2.1728	3.7430	2.9373	2.8276	1.0984	3.8244	1.7907	2.6232	3.1768	1.7920

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.349	C1	C4	H8	109.279
C1	C4	H9	109.279	C1	C5	H7	110.349
C1	C5	H10	109.279	C1	C5	H11	109.279
Cl2	C1	Cl3	108.814	Cl2	C1	C4	108.594
Cl2	C1	C5	108.594	Cl3	C1	C4	108.594
Cl3	C1	C5	108.594	C4	C1	C5	113.560
H6	C4	H8	109.302	H6	C4	H9	109.302
H7	C5	H10	109.302	H7	C5	H11	109.302
H8	C4	H9	109.313	H10	C5	H11	109.313

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

using model chemistry: PBE1PBE/STO-3G

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	0.101
2	Cl	-0.140
3	Cl	-0.140
4	C	-0.229
5	C	-0.229
6	H	0.110
7	H	0.110
8	H	0.104
9	H	0.104
10	H	0.104
11	H	0.104

<r²>	192.536
(<r²>)^1/2	13.876

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

using model chemistry: PBE1PBE/STO-3G

States and conformations

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