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	hartrees
Energy at 0K	-1036.770674
Energy at 298.15K
HF Energy	-1036.063234
Nuclear repulsion energy	295.475420

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3222	3024	7.10
2	A₁	3122	2930	9.41
3	A₁	1549	1454	2.93
4	A₁	1488	1396	7.63
5	A₁	1240	1164	31.25
6	A₁	975	915	6.84
7	A₁	593	557	14.46
8	A₁	380	357	0.49
9	A₁	270	253	1.27
10	A₂	3200	3003	0.00
11	A₂	1538	1443	0.00
12	A₂	1067	1001	0.00
13	A₂	297	279	0.00
14	A₂	285	268	0.00
15	B₁	3205	3008	17.45
16	B₁	1558	1462	8.90
17	B₁	1199	1125	82.17
18	B₁	726	682	78.27
19	B₁	376	353	1.81
20	B₁	320	301	0.02
21	B₂	3221	3023	4.45
22	B₂	3118	2927	3.88
23	B₂	1535	1441	4.87
24	B₂	1471	1381	16.63
25	B₂	1271	1193	5.04
26	B₂	993	932	0.20
27	B₂	404	379	3.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.334
Cl2	1.461	0.000	-0.716
Cl3	-1.461	0.000	-0.716
C4	0.000	1.268	1.171
C5	0.000	-1.268	1.171
H6	0.000	2.152	0.533
H7	0.000	-2.152	0.533
H8	-0.891	1.284	1.805
H9	0.891	1.284	1.805
H10	0.891	-1.284	1.805
H11	-0.891	-1.284	1.805

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.7987	1.7987	1.5195	1.5195	2.1614	2.1614	2.1465	2.1465	2.1465	2.1465
Cl2	1.7987		2.9215	2.7024	2.7024	2.8852	2.8852	3.6789	2.8857	2.8857	3.6789
Cl3	1.7987	2.9215		2.7024	2.7024	2.8852	2.8852	2.8857	3.6789	3.6789	2.8857
C4	1.5195	2.7024	2.7024		2.5354	1.0911	3.4790	1.0933	1.0933	2.7764	2.7764
C5	1.5195	2.7024	2.7024	2.5354		3.4790	1.0911	2.7764	2.7764	1.0933	1.0933
H6	2.1614	2.8852	2.8852	1.0911	3.4790		4.3044	1.7791	1.7791	3.7713	3.7713
H7	2.1614	2.8852	2.8852	3.4790	1.0911	4.3044		3.7713	3.7713	1.7791	1.7791
H8	2.1465	3.6789	2.8857	1.0933	2.7764	1.7791	3.7713		1.7823	3.1266	2.5689
H9	2.1465	2.8857	3.6789	1.0933	2.7764	1.7791	3.7713	1.7823		2.5689	3.1266
H10	2.1465	2.8857	3.6789	2.7764	1.0933	3.7713	1.7791	3.1266	2.5689		1.7823
H11	2.1465	3.6789	2.8857	2.7764	1.0933	3.7713	1.7791	2.5689	3.1266	1.7823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.701	C1	C4	H8	109.395
C1	C4	H9	109.395	C1	C5	H7	110.701
C1	C5	H10	109.395	C1	C5	H11	109.395
Cl2	C1	Cl3	108.603	Cl2	C1	C4	108.767
Cl2	C1	C5	108.767	Cl3	C1	C4	108.767
Cl3	C1	C5	108.767	C4	C1	C5	113.080
H6	C4	H8	109.065	H6	C4	H9	109.065
H7	C5	H10	109.065	H7	C5	H11	109.065
H8	C4	H9	109.198	H10	C5	H11	109.198

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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