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	hartrees
Energy at 0K	-1037.002169
Energy at 298.15K
HF Energy	-1036.087927
Nuclear repulsion energy	295.561241

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3200	3032	5.94
2	A₁	3098	2935	8.47
3	A₁	1518	1438	2.47
4	A₁	1451	1375	4.70
5	A₁	1209	1146	30.37
6	A₁	956	906	6.98
7	A₁	581	551	13.30
8	A₁	368	348	0.45
9	A₁	261	247	1.16
10	A₂	3178	3010	0.00
11	A₂	1506	1427	0.00
12	A₂	1042	987	0.00
13	A₂	288	273	0.00
14	A₂	276	262	0.00
15	B₁	3183	3016	14.45
16	B₁	1528	1447	4.94
17	B₁	1165	1104	79.86
18	B₁	714	677	78.43
19	B₁	366	347	1.82
20	B₁	311	295	0.01
21	B₂	3198	3030	2.99
22	B₂	3094	2931	3.43
23	B₂	1504	1425	3.44
24	B₂	1435	1360	11.30
25	B₂	1243	1177	4.28
26	B₂	970	919	0.10
27	B₂	395	374	2.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.335
Cl2	1.458	0.000	-0.717
Cl3	-1.458	0.000	-0.717
C4	0.000	1.269	1.173
C5	0.000	-1.269	1.173
H6	0.000	2.152	0.533
H7	0.000	-2.152	0.533
H8	-0.890	1.286	1.805
H9	0.890	1.286	1.805
H10	0.890	-1.286	1.805
H11	-0.890	-1.286	1.805

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.7981	1.7981	1.5207	1.5207	2.1608	2.1608	2.1463	2.1463	2.1463	2.1463
Cl2	1.7981		2.9159	2.7033	2.7033	2.8842	2.8842	3.6782	2.8873	2.8873	3.6782
Cl3	1.7981	2.9159		2.7033	2.7033	2.8842	2.8842	2.8873	3.6782	3.6782	2.8873
C4	1.5207	2.7033	2.7033		2.5387	1.0897	3.4803	1.0921	1.0921	2.7792	2.7792
C5	1.5207	2.7033	2.7033	2.5387		3.4803	1.0897	2.7792	2.7792	1.0921	1.0921
H6	2.1608	2.8842	2.8842	1.0897	3.4803		4.3034	1.7773	1.7773	3.7722	3.7722
H7	2.1608	2.8842	2.8842	3.4803	1.0897	4.3034		3.7722	3.7722	1.7773	1.7773
H8	2.1463	3.6782	2.8873	1.0921	2.7792	1.7773	3.7722		1.7807	3.1287	2.5726
H9	2.1463	2.8873	3.6782	1.0921	2.7792	1.7773	3.7722	1.7807		2.5726	3.1287
H10	2.1463	2.8873	3.6782	2.7792	1.0921	3.7722	1.7773	3.1287	2.5726		1.7807
H11	2.1463	3.6782	2.8873	2.7792	1.0921	3.7722	1.7773	2.5726	3.1287	1.7807

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.658	C1	C4	H8	109.371
C1	C4	H9	109.371	C1	C5	H7	110.658
C1	C5	H10	109.371	C1	C5	H11	109.371
Cl2	C1	Cl3	108.357	Cl2	C1	C4	108.800
Cl2	C1	C5	108.800	Cl3	C1	C4	108.800
Cl3	C1	C5	108.800	C4	C1	C5	113.178
H6	C4	H8	109.096	H6	C4	H9	109.096
H7	C5	H10	109.096	H7	C5	H11	109.096
H8	C4	H9	109.227	H10	C5	H11	109.227

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

using model chemistry: QCISD/6-31G(2df,p)

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: QCISD/6-31G(2df,p)

States and conformations

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