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	hartrees
Energy at 0K	-1036.882800
Energy at 298.15K
HF Energy	-1036.115653
Nuclear repulsion energy	293.444183

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3184	3055	9.05
2	A₁	3076	2951	13.38
3	A₁	1489	1428	2.58
4	A₁	1425	1368	3.36
5	A₁	1198	1149	32.45
6	A₁	954	915	7.24
7	A₁	575	551	14.13
8	A₁	367	352	0.41
9	A₁	261	250	1.06
10	A₂	3161	3033	0.00
11	A₂	1477	1417	0.00
12	A₂	1026	984	0.00
13	A₂	289	277	0.00
14	A₂	279	268	0.00
15	B₁	3166	3038	22.20
16	B₁	1498	1437	4.85
17	B₁	1150	1104	72.39
18	B₁	699	670	79.06
19	B₁	367	352	1.81
20	B₁	315	302	0.00
21	B₂	3182	3053	5.36
22	B₂	3072	2948	6.52
23	B₂	1476	1416	3.07
24	B₂	1411	1354	9.33
25	B₂	1241	1191	5.79
26	B₂	961	922	0.01
27	B₂	395	379	3.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.339
Cl2	1.472	0.000	-0.720
Cl3	-1.472	0.000	-0.720
C4	0.000	1.276	1.177
C5	0.000	-1.276	1.177
H6	0.000	2.166	0.528
H7	0.000	-2.166	0.528
H8	-0.900	1.295	1.816
H9	0.900	1.295	1.816
H10	0.900	-1.295	1.816
H11	-0.900	-1.295	1.816

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8131	1.8131	1.5266	1.5266	2.1738	2.1738	2.1608	2.1608	2.1608	2.1608
Cl2	1.8131		2.9431	2.7192	2.7192	2.9006	2.9006	3.7061	2.9045	2.9045	3.7061
Cl3	1.8131	2.9431		2.7192	2.7192	2.9006	2.9006	2.9045	3.7061	3.7061	2.9045
C4	1.5266	2.7192	2.7192		2.5514	1.1015	3.5020	1.1040	1.1040	2.7975	2.7975
C5	1.5266	2.7192	2.7192	2.5514		3.5020	1.1015	2.7975	2.7975	1.1040	1.1040
H6	2.1738	2.9006	2.9006	1.1015	3.5020		4.3311	1.7965	1.7965	3.8005	3.8005
H7	2.1738	2.9006	2.9006	3.5020	1.1015	4.3311		3.8005	3.8005	1.7965	1.7965
H8	2.1608	3.7061	2.9045	1.1040	2.7975	1.7965	3.8005		1.8004	3.1540	2.5897
H9	2.1608	2.9045	3.7061	1.1040	2.7975	1.7965	3.8005	1.8004		2.5897	3.1540
H10	2.1608	2.9045	3.7061	2.7975	1.1040	3.8005	1.7965	3.1540	2.5897		1.8004
H11	2.1608	3.7061	2.9045	2.7975	1.1040	3.8005	1.7965	2.5897	3.1540	1.8004

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.571	C1	C4	H8	109.406
C1	C4	H9	109.406	C1	C5	H7	110.571
C1	C5	H10	109.406	C1	C5	H11	109.406
Cl2	C1	Cl3	108.509	Cl2	C1	C4	108.714
Cl2	C1	C5	108.714	Cl3	C1	C4	108.714
Cl3	C1	C5	108.714	C4	C1	C5	113.373
H6	C4	H8	109.089	H6	C4	H9	109.089
H7	C5	H10	109.089	H7	C5	H11	109.089
H8	C4	H9	109.260	H10	C5	H11	109.260

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

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

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