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	hartrees
Energy at 0K	-1036.757937
Energy at 298.15K
HF Energy	-1036.135144
Nuclear repulsion energy	296.661848

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3259	3028	10.75
2	A₁	3162	2938	12.91
3	A₁	1569	1458	3.19
4	A₁	1515	1408	6.70
5	A₁	1262	1172	35.98
6	A₁	992	922	6.86
7	A₁	605	562	15.44
8	A₁	388	360	0.67
9	A₁	279	259	0.79
10	A₂	3237	3008	0.00
11	A₂	1555	1445	0.00
12	A₂	1090	1013	0.00
13	A₂	304	282	0.00
14	A₂	295	274	0.00
15	B₁	3244	3014	24.38
16	B₁	1578	1466	6.75
17	B₁	1218	1132	95.16
18	B₁	744	692	94.30
19	B₁	384	357	2.15
20	B₁	334	310	0.02
21	B₂	3257	3026	6.30
22	B₂	3156	2933	5.57
23	B₂	1553	1443	4.50
24	B₂	1498	1392	15.79
25	B₂	1288	1197	4.00
26	B₂	1012	940	0.30
27	B₂	410	381	2.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.332
Cl2	1.454	0.000	-0.713
Cl3	-1.454	0.000	-0.713
C4	0.000	1.264	1.166
C5	0.000	-1.264	1.166
H6	0.000	2.144	0.533
H7	0.000	-2.144	0.533
H8	-0.885	1.286	1.796
H9	0.885	1.286	1.796
H10	0.885	-1.286	1.796
H11	-0.885	-1.286	1.796

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.7910	1.7910	1.5147	1.5147	2.1537	2.1537	2.1403	2.1403	2.1403	2.1403
Cl2	1.7910		2.9087	2.6919	2.6919	2.8749	2.8749	3.6640	2.8766	2.8766	3.6640
Cl3	1.7910	2.9087		2.6919	2.6919	2.8749	2.8749	2.8766	3.6640	3.6640	2.8766
C4	1.5147	2.6919	2.6919		2.5287	1.0845	3.4671	1.0867	1.0867	2.7722	2.7722
C5	1.5147	2.6919	2.6919	2.5287		3.4671	1.0845	2.7722	2.7722	1.0867	1.0867
H6	2.1537	2.8749	2.8749	1.0845	3.4671		4.2887	1.7656	1.7656	3.7614	3.7614
H7	2.1537	2.8749	2.8749	3.4671	1.0845	4.2887		3.7614	3.7614	1.7656	1.7656
H8	2.1403	3.6640	2.8766	1.0867	2.7722	1.7656	3.7614		1.7705	3.1226	2.5721
H9	2.1403	2.8766	3.6640	1.0867	2.7722	1.7656	3.7614	1.7705		2.5721	3.1226
H10	2.1403	2.8766	3.6640	2.7722	1.0867	3.7614	1.7656	3.1226	2.5721		1.7705
H11	2.1403	3.6640	2.8766	2.7722	1.0867	3.7614	1.7656	2.5721	3.1226	1.7705

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.820	C1	C4	H8	109.624
C1	C4	H9	109.624	C1	C5	H7	110.820
C1	C5	H10	109.624	C1	C5	H11	109.624
Cl2	C1	Cl3	108.585	Cl2	C1	C4	108.748
Cl2	C1	C5	108.748	Cl3	C1	C4	108.748
Cl3	C1	C5	108.748	C4	C1	C5	113.173
H6	C4	H8	108.820	H6	C4	H9	108.820
H7	C5	H10	108.820	H7	C5	H11	108.820
H8	C4	H9	109.103	H10	C5	H11	109.103

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

using model chemistry: CID/6-311G*

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/6-311G*

States and conformations

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