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	hartrees
Energy at 0K	-1037.123944
Energy at 298.15K
HF Energy	-1036.167395
Nuclear repulsion energy	296.455697

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3191	3191	7.27
2	A₁	3091	3091	10.61
3	A₁	1518	1518	4.68
4	A₁	1449	1449	5.09
5	A₁	1209	1209	28.27
6	A₁	958	958	6.44
7	A₁	587	587	11.98
8	A₁	371	371	0.43
9	A₁	266	266	1.03
10	A₂	3169	3169	0.00
11	A₂	1506	1506	0.00
12	A₂	1043	1043	0.00
13	A₂	292	292	0.00
14	A₂	276	276	0.00
15	B₁	3174	3174	17.03
16	B₁	1527	1527	5.59
17	B₁	1166	1166	75.88
18	B₁	717	717	73.22
19	B₁	369	369	1.89
20	B₁	311	311	0.01
21	B₂	3190	3190	3.84
22	B₂	3086	3086	3.83
23	B₂	1505	1505	3.86
24	B₂	1433	1433	13.67
25	B₂	1242	1242	3.10
26	B₂	970	970	0.03
27	B₂	399	399	2.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.333
Cl2	1.453	0.000	-0.715
Cl3	-1.453	0.000	-0.715
C4	0.000	1.266	1.171
C5	0.000	-1.266	1.171
H6	0.000	2.146	0.534
H7	0.000	-2.146	0.534
H8	-0.888	1.281	1.800
H9	0.888	1.281	1.800
H10	0.888	-1.281	1.800
H11	-0.888	-1.281	1.800

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.7915	1.7915	1.5178	1.5178	2.1549	2.1549	2.1409	2.1409	2.1409	2.1409
Cl2	1.7915		2.9056	2.6961	2.6961	2.8764	2.8764	3.6673	2.8789	2.8789	3.6673
Cl3	1.7915	2.9056		2.6961	2.6961	2.8764	2.8764	2.8789	3.6673	3.6673	2.8789
C4	1.5178	2.6961	2.6961		2.5314	1.0863	3.4702	1.0888	1.0888	2.7698	2.7698
C5	1.5178	2.6961	2.6961	2.5314		3.4702	1.0863	2.7698	2.7698	1.0888	1.0888
H6	2.1549	2.8764	2.8764	1.0863	3.4702		4.2911	1.7721	1.7721	3.7598	3.7598
H7	2.1549	2.8764	2.8764	3.4702	1.0863	4.2911		3.7598	3.7598	1.7721	1.7721
H8	2.1409	3.6673	2.8789	1.0888	2.7698	1.7721	3.7598		1.7762	3.1178	2.5624
H9	2.1409	2.8789	3.6673	1.0888	2.7698	1.7721	3.7598	1.7762		2.5624	3.1178
H10	2.1409	2.8789	3.6673	2.7698	1.0888	3.7598	1.7721	3.1178	2.5624		1.7762
H11	2.1409	3.6673	2.8789	2.7698	1.0888	3.7598	1.7721	2.5624	3.1178	1.7762

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.596	C1	C4	H8	109.334
C1	C4	H9	109.334	C1	C5	H7	110.596
C1	C5	H10	109.334	C1	C5	H11	109.334
Cl2	C1	Cl3	108.379	Cl2	C1	C4	108.840
Cl2	C1	C5	108.840	Cl3	C1	C4	108.840
Cl3	C1	C5	108.840	C4	C1	C5	113.004
H6	C4	H8	109.124	H6	C4	H9	109.124
H7	C5	H10	109.124	H7	C5	H11	109.124
H8	C4	H9	109.310	H10	C5	H11	109.310

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

using model chemistry: MP3/6-311+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: MP3/6-311+G(3df,2p)

States and conformations

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