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	hartrees
Energy at 0K	-1036.656437
Energy at 298.15K
HF Energy	-1036.063492
Nuclear repulsion energy	296.494320

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3283	3032	8.17
2	A₁	3183	2940	10.87
3	A₁	1584	1463	2.67
4	A₁	1526	1409	6.59
5	A₁	1269	1172	32.43
6	A₁	995	919	7.74
7	A₁	606	560	16.26
8	A₁	388	359	0.48
9	A₁	277	256	1.29
10	A₂	3260	3011	0.00
11	A₂	1573	1453	0.00
12	A₂	1094	1011	0.00
13	A₂	303	280	0.00
14	A₂	291	269	0.00
15	B₁	3266	3017	19.39
16	B₁	1593	1472	8.00
17	B₁	1226	1133	89.96
18	B₁	748	691	90.24
19	B₁	384	355	1.89
20	B₁	327	302	0.02
21	B₂	3281	3031	5.28
22	B₂	3178	2935	4.95
23	B₂	1570	1451	4.67
24	B₂	1509	1394	14.15
25	B₂	1296	1197	4.46
26	B₂	1016	939	0.27
27	B₂	413	382	3.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.331
Cl2	1.455	0.000	-0.714
Cl3	-1.455	0.000	-0.714
C4	0.000	1.264	1.169
C5	0.000	-1.264	1.169
H6	0.000	2.146	0.536
H7	0.000	-2.146	0.536
H8	-0.886	1.280	1.800
H9	0.886	1.280	1.800
H10	0.886	-1.280	1.800
H11	-0.886	-1.280	1.800

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.7916	1.7916	1.5161	1.5161	2.1556	2.1556	2.1404	2.1404	2.1404	2.1404
Cl2	1.7916		2.9092	2.6946	2.6946	2.8784	2.8784	3.6662	2.8783	2.8783	3.6662
Cl3	1.7916	2.9092		2.6946	2.6946	2.8784	2.8784	2.8783	3.6662	3.6662	2.8783
C4	1.5161	2.6946	2.6946		2.5270	1.0858	3.4676	1.0879	1.0879	2.7668	2.7668
C5	1.5161	2.6946	2.6946	2.5270		3.4676	1.0858	2.7668	2.7668	1.0879	1.0879
H6	2.1556	2.8784	2.8784	1.0858	3.4676		4.2917	1.7694	1.7694	3.7578	3.7578
H7	2.1556	2.8784	2.8784	3.4676	1.0858	4.2917		3.7578	3.7578	1.7694	1.7694
H8	2.1404	3.6662	2.8783	1.0879	2.7668	1.7694	3.7578		1.7725	3.1145	2.5609
H9	2.1404	2.8783	3.6662	1.0879	2.7668	1.7694	3.7578	1.7725		2.5609	3.1145
H10	2.1404	2.8783	3.6662	2.7668	1.0879	3.7578	1.7694	3.1145	2.5609		1.7725
H11	2.1404	3.6662	2.8783	2.7668	1.0879	3.7578	1.7694	2.5609	3.1145	1.7725

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.806	C1	C4	H8	109.472
C1	C4	H9	109.472	C1	C5	H7	110.806
C1	C5	H10	109.472	C1	C5	H11	109.472
Cl2	C1	Cl3	108.569	Cl2	C1	C4	108.821
Cl2	C1	C5	108.821	Cl3	C1	C4	108.821
Cl3	C1	C5	108.821	C4	C1	C5	112.904
H6	C4	H8	108.978	H6	C4	H9	108.978
H7	C5	H10	108.978	H7	C5	H11	108.978
H8	C4	H9	109.108	H10	C5	H11	109.108

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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