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	hartrees
Energy at 0K	-1036.939564
Energy at 298.15K
HF Energy	-1036.167407
Nuclear repulsion energy	297.983448

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3263	3008	8.54
2	A₁	3164	2917	11.71
3	A₁	1568	1445	4.82
4	A₁	1502	1385	4.84
5	A₁	1252	1154	29.02
6	A₁	987	910	6.96
7	A₁	605	557	13.33
8	A₁	383	353	0.46
9	A₁	275	253	1.10
10	A₂	3239	2986	0.00
11	A₂	1556	1435	0.00
12	A₂	1082	997	0.00
13	A₂	300	277	0.00
14	A₂	286	263	0.00
15	B₁	3246	2992	19.43
16	B₁	1577	1454	5.66
17	B₁	1207	1113	83.05
18	B₁	745	687	82.10
19	B₁	380	351	2.07
20	B₁	322	297	0.01
21	B₂	3261	3006	4.65
22	B₂	3159	2912	4.41
23	B₂	1554	1433	4.04
24	B₂	1485	1369	12.36
25	B₂	1279	1179	2.56
26	B₂	1003	925	0.08
27	B₂	412	380	2.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.331
Cl2	1.444	0.000	-0.712
Cl3	-1.444	0.000	-0.712
C4	0.000	1.260	1.166
C5	0.000	-1.260	1.166
H6	0.000	2.135	0.534
H7	0.000	-2.135	0.534
H8	-0.882	1.276	1.792
H9	0.882	1.276	1.792
H10	0.882	-1.276	1.792
H11	-0.882	-1.276	1.792

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.7815	1.7815	1.5113	1.5113	2.1452	2.1452	2.1312	2.1312	2.1312	2.1312
Cl2	1.7815		2.8888	2.6832	2.6832	2.8636	2.8636	3.6487	2.8663	2.8663	3.6487
Cl3	1.7815	2.8888		2.6832	2.6832	2.8636	2.8636	2.8663	3.6487	3.6487	2.8663
C4	1.5113	2.6832	2.6832		2.5193	1.0797	3.4533	1.0821	1.0821	2.7566	2.7566
C5	1.5113	2.6832	2.6832	2.5193		3.4533	1.0797	2.7566	2.7566	1.0821	1.0821
H6	2.1452	2.8636	2.8636	1.0797	3.4533		4.2710	1.7606	1.7606	3.7413	3.7413
H7	2.1452	2.8636	2.8636	3.4533	1.0797	4.2710		3.7413	3.7413	1.7606	1.7606
H8	2.1312	3.6487	2.8663	1.0821	2.7566	1.7606	3.7413		1.7644	3.1022	2.5516
H9	2.1312	2.8663	3.6487	1.0821	2.7566	1.7606	3.7413	1.7644		2.5516	3.1022
H10	2.1312	2.8663	3.6487	2.7566	1.0821	3.7413	1.7606	3.1022	2.5516		1.7644
H11	2.1312	3.6487	2.8663	2.7566	1.0821	3.7413	1.7606	2.5516	3.1022	1.7644

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.665	C1	C4	H8	109.411
C1	C4	H9	109.411	C1	C5	H7	110.665
C1	C5	H10	109.411	C1	C5	H11	109.411
Cl2	C1	Cl3	108.345	Cl2	C1	C4	108.872
Cl2	C1	C5	108.872	Cl3	C1	C4	108.872
Cl3	C1	C5	108.872	C4	C1	C5	112.910
H6	C4	H8	109.053	H6	C4	H9	109.053
H7	C5	H10	109.053	H7	C5	H11	109.053
H8	C4	H9	109.226	H10	C5	H11	109.226

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

using model chemistry: CISD/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

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