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	hartrees
Energy at 0K	-1036.878050
Energy at 298.15K
HF Energy	-1036.115728
Nuclear repulsion energy	293.800868

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3193	3055	8.50
2	A₁	3084	2951	12.26
3	A₁	1491	1427	2.61
4	A₁	1429	1367	3.69
5	A₁	1202	1150	32.41
6	A₁	959	917	6.91
7	A₁	582	557	13.15
8	A₁	369	353	0.36
9	A₁	263	252	1.11
10	A₂	3172	3034	0.00
11	A₂	1480	1416	0.00
12	A₂	1028	984	0.00
13	A₂	290	278	0.00
14	A₂	280	268	0.00
15	B₁	3177	3039	20.61
16	B₁	1500	1435	5.08
17	B₁	1157	1107	71.87
18	B₁	716	685	70.76
19	B₁	369	353	1.62
20	B₁	316	302	0.00
21	B₂	3191	3053	4.94
22	B₂	3081	2947	6.02
23	B₂	1478	1414	3.06
24	B₂	1415	1354	10.02
25	B₂	1244	1190	5.96
26	B₂	963	921	0.01
27	B₂	397	380	3.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.337
Cl2	1.469	0.000	-0.719
Cl3	-1.469	0.000	-0.719
C4	0.000	1.275	1.177
C5	0.000	-1.275	1.177
H6	0.000	2.165	0.529
H7	0.000	-2.165	0.529
H8	-0.900	1.294	1.816
H9	0.900	1.294	1.816
H10	0.900	-1.294	1.816
H11	-0.900	-1.294	1.816

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8093	1.8093	1.5264	1.5264	2.1734	2.1734	2.1608	2.1608	2.1608	2.1608
Cl2	1.8093		2.9376	2.7162	2.7162	2.8987	2.8987	3.7027	2.9023	2.9023	3.7027
Cl3	1.8093	2.9376		2.7162	2.7162	2.8987	2.8987	2.9023	3.7027	3.7027	2.9023
C4	1.5264	2.7162	2.7162		2.5492	1.1012	3.5001	1.1036	1.1036	2.7952	2.7952
C5	1.5264	2.7162	2.7162	2.5492		3.5001	1.1012	2.7952	2.7952	1.1036	1.1036
H6	2.1734	2.8987	2.8987	1.1012	3.5001		4.3299	1.7956	1.7956	3.7983	3.7983
H7	2.1734	2.8987	2.8987	3.5001	1.1012	4.3299		3.7983	3.7983	1.7956	1.7956
H8	2.1608	3.7027	2.9023	1.1036	2.7952	1.7956	3.7983		1.7995	3.1515	2.5873
H9	2.1608	2.9023	3.7027	1.1036	2.7952	1.7956	3.7983	1.7995		2.5873	3.1515
H10	2.1608	2.9023	3.7027	2.7952	1.1036	3.7983	1.7956	3.1515	2.5873		1.7995
H11	2.1608	3.7027	2.9023	2.7952	1.1036	3.7983	1.7956	2.5873	3.1515	1.7995

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.572	C1	C4	H8	109.442
C1	C4	H9	109.442	C1	C5	H7	110.572
C1	C5	H10	109.442	C1	C5	H11	109.442
Cl2	C1	Cl3	108.548	Cl2	C1	C4	108.740
Cl2	C1	C5	108.740	Cl3	C1	C4	108.740
Cl3	C1	C5	108.740	C4	C1	C5	113.238
H6	C4	H8	109.064	H6	C4	H9	109.064
H7	C5	H10	109.064	H7	C5	H11	109.064
H8	C4	H9	109.235	H10	C5	H11	109.235

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

using model chemistry: CCD/cc-pVDZ

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: CCD/cc-pVDZ

States and conformations

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