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	hartrees
Energy at 0K	-1036.946768
Energy at 298.15K
HF Energy	-1036.168909
Nuclear repulsion energy	297.864846

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3269	3269	8.79
2	A₁	3171	3171	12.40
3	A₁	1563	1563	3.44
4	A₁	1500	1500	5.00
5	A₁	1250	1250	29.29
6	A₁	986	986	7.90
7	A₁	601	601	14.57
8	A₁	380	380	0.43
9	A₁	271	271	1.11
10	A₂	3245	3245	0.00
11	A₂	1551	1551	0.00
12	A₂	1080	1080	0.00
13	A₂	297	297	0.00
14	A₂	279	279	0.00
15	B₁	3251	3251	20.31
16	B₁	1572	1572	4.98
17	B₁	1204	1204	78.97
18	B₁	737	737	83.95
19	B₁	377	377	2.02
20	B₁	318	318	0.00
21	B₂	3266	3266	5.17
22	B₂	3167	3167	4.91
23	B₂	1549	1549	3.96
24	B₂	1486	1486	11.80
25	B₂	1280	1280	3.24
26	B₂	1003	1003	0.03
27	B₂	408	408	2.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.331
Cl2	1.447	0.000	-0.712
Cl3	-1.447	0.000	-0.712
C4	0.000	1.259	1.165
C5	0.000	-1.259	1.165
H6	0.000	2.134	0.534
H7	0.000	-2.134	0.534
H8	-0.882	1.275	1.791
H9	0.882	1.275	1.791
H10	0.882	-1.275	1.791
H11	-0.882	-1.275	1.791

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.7837	1.7837	1.5101	1.5101	2.1432	2.1432	2.1293	2.1293	2.1293	2.1293
Cl2	1.7837		2.8939	2.6837	2.6837	2.8632	2.8632	3.6487	2.8654	2.8654	3.6487
Cl3	1.7837	2.8939		2.6837	2.6837	2.8632	2.8632	2.8654	3.6487	3.6487	2.8654
C4	1.5101	2.6837	2.6837		2.5174	1.0789	3.4506	1.0813	1.0813	2.7545	2.7545
C5	1.5101	2.6837	2.6837	2.5174		3.4506	1.0789	2.7545	2.7545	1.0813	1.0813
H6	2.1432	2.8632	2.8632	1.0789	3.4506		4.2672	1.7595	1.7595	3.7383	3.7383
H7	2.1432	2.8632	2.8632	3.4506	1.0789	4.2672		3.7383	3.7383	1.7595	1.7595
H8	2.1293	3.6487	2.8654	1.0813	2.7545	1.7595	3.7383		1.7633	3.0998	2.5495
H9	2.1293	2.8654	3.6487	1.0813	2.7545	1.7595	3.7383	1.7633		2.5495	3.0998
H10	2.1293	2.8654	3.6487	2.7545	1.0813	3.7383	1.7595	3.0998	2.5495		1.7633
H11	2.1293	3.6487	2.8654	2.7545	1.0813	3.7383	1.7595	2.5495	3.0998	1.7633

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.649	C1	C4	H8	109.397
C1	C4	H9	109.397	C1	C5	H7	110.649
C1	C5	H10	109.397	C1	C5	H11	109.397
Cl2	C1	Cl3	108.425	Cl2	C1	C4	108.847
Cl2	C1	C5	108.847	Cl3	C1	C4	108.847
Cl3	C1	C5	108.847	C4	C1	C5	112.932
H6	C4	H8	109.069	H6	C4	H9	109.069
H7	C5	H10	109.069	H7	C5	H11	109.069
H8	C4	H9	109.239	H10	C5	H11	109.239

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

using model chemistry: CISD/Def2TZVPP

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: CISD/Def2TZVPP

States and conformations

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