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	hartrees
Energy at 0K	-1036.937555
Energy at 298.15K
HF Energy	-1036.167391
Nuclear repulsion energy	298.053909

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3266	3018	8.34
2	A₁	3167	2926	11.47
3	A₁	1568	1449	4.86
4	A₁	1503	1389	4.93
5	A₁	1253	1158	29.05
6	A₁	988	913	6.88
7	A₁	606	560	13.24
8	A₁	383	354	0.46
9	A₁	275	254	1.10
10	A₂	3243	2996	0.00
11	A₂	1557	1439	0.00
12	A₂	1082	1000	0.00
13	A₂	301	278	0.00
14	A₂	286	264	0.00
15	B₁	3249	3002	18.94
16	B₁	1578	1458	5.72
17	B₁	1208	1116	83.22
18	B₁	747	690	81.22
19	B₁	381	352	2.05
20	B₁	323	298	0.01
21	B₂	3264	3016	4.50
22	B₂	3161	2921	4.31
23	B₂	1555	1437	4.06
24	B₂	1486	1373	12.53
25	B₂	1280	1183	2.55
26	B₂	1004	927	0.08
27	B₂	412	381	2.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.330
Cl2	1.444	0.000	-0.712
Cl3	-1.444	0.000	-0.712
C4	0.000	1.259	1.166
C5	0.000	-1.259	1.166
H6	0.000	2.135	0.534
H7	0.000	-2.135	0.534
H8	-0.882	1.276	1.792
H9	0.882	1.276	1.792
H10	0.882	-1.276	1.792
H11	-0.882	-1.276	1.792

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.7809	1.7809	1.5113	1.5113	2.1450	2.1450	2.1311	2.1311	2.1311	2.1311
Cl2	1.7809		2.8879	2.6827	2.6827	2.8632	2.8632	3.6479	2.8658	2.8658	3.6479
Cl3	1.7809	2.8879		2.6827	2.6827	2.8632	2.8632	2.8658	3.6479	3.6479	2.8658
C4	1.5113	2.6827	2.6827		2.5188	1.0796	3.4528	1.0819	1.0819	2.7561	2.7561
C5	1.5113	2.6827	2.6827	2.5188		3.4528	1.0796	2.7561	2.7561	1.0819	1.0819
H6	2.1450	2.8632	2.8632	1.0796	3.4528		4.2704	1.7603	1.7603	3.7407	3.7407
H7	2.1450	2.8632	2.8632	3.4528	1.0796	4.2704		3.7407	3.7407	1.7603	1.7603
H8	2.1311	3.6479	2.8658	1.0819	2.7561	1.7603	3.7407		1.7641	3.1016	2.5510
H9	2.1311	2.8658	3.6479	1.0819	2.7561	1.7603	3.7407	1.7641		2.5510	3.1016
H10	2.1311	2.8658	3.6479	2.7561	1.0819	3.7407	1.7603	3.1016	2.5510		1.7641
H11	2.1311	3.6479	2.8658	2.7561	1.0819	3.7407	1.7603	2.5510	3.1016	1.7641

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.663	C1	C4	H8	109.415
C1	C4	H9	109.415	C1	C5	H7	110.663
C1	C5	H10	109.415	C1	C5	H11	109.415
Cl2	C1	Cl3	108.354	Cl2	C1	C4	108.876
Cl2	C1	C5	108.876	Cl3	C1	C4	108.876
Cl3	C1	C5	108.876	C4	C1	C5	112.888
H6	C4	H8	109.051	H6	C4	H9	109.051
H7	C5	H10	109.051	H7	C5	H11	109.051
H8	C4	H9	109.224	H10	C5	H11	109.224

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

using model chemistry: CID/6-311+G(3df,2p)

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: CID/6-311+G(3df,2p)

States and conformations

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