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	hartrees
Energy at 0K	-1036.780661
Energy at 298.15K
HF Energy	-1036.063005
Nuclear repulsion energy	295.054896

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3185	3033	9.05
2	A₁	3087	2940	11.37
3	A₁	1538	1465	2.67
4	A₁	1478	1407	6.53
5	A₁	1231	1172	30.08
6	A₁	966	920	6.91
7	A₁	586	558	14.36
8	A₁	378	360	0.49
9	A₁	268	255	1.20
10	A₂	3162	3011	0.00
11	A₂	1528	1455	0.00
12	A₂	1060	1009	0.00
13	A₂	295	281	0.00
14	A₂	284	271	0.00
15	B₁	3168	3017	21.23
16	B₁	1548	1474	7.99
17	B₁	1189	1132	80.41
18	B₁	715	681	81.55
19	B₁	373	356	1.79
20	B₁	320	304	0.02
21	B₂	3183	3032	5.86
22	B₂	3083	2936	5.25
23	B₂	1525	1452	4.51
24	B₂	1461	1391	14.55
25	B₂	1262	1201	4.86
26	B₂	987	940	0.17
27	B₂	401	382	3.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.334
Cl2	1.463	0.000	-0.717
Cl3	-1.463	0.000	-0.717
C4	0.000	1.269	1.173
C5	0.000	-1.269	1.173
H6	0.000	2.156	0.533
H7	0.000	-2.156	0.533
H8	-0.893	1.286	1.808
H9	0.893	1.286	1.808
H10	0.893	-1.286	1.808
H11	-0.893	-1.286	1.808

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8014	1.8014	1.5210	1.5210	2.1652	2.1652	2.1503	2.1503	2.1503	2.1503
Cl2	1.8014		2.9257	2.7058	2.7058	2.8899	2.8899	3.6850	2.8904	2.8904	3.6850
Cl3	1.8014	2.9257		2.7058	2.7058	2.8899	2.8899	2.8904	3.6850	3.6850	2.8904
C4	1.5210	2.7058	2.7058		2.5378	1.0936	3.4841	1.0958	1.0958	2.7804	2.7804
C5	1.5210	2.7058	2.7058	2.5378		3.4841	1.0936	2.7804	2.7804	1.0958	1.0958
H6	2.1652	2.8899	2.8899	1.0936	3.4841		4.3121	1.7826	1.7826	3.7779	3.7779
H7	2.1652	2.8899	2.8899	3.4841	1.0936	4.3121		3.7779	3.7779	1.7826	1.7826
H8	2.1503	3.6850	2.8904	1.0958	2.7804	1.7826	3.7779		1.7858	3.1320	2.5730
H9	2.1503	2.8904	3.6850	1.0958	2.7804	1.7826	3.7779	1.7858		2.5730	3.1320
H10	2.1503	2.8904	3.6850	2.7804	1.0958	3.7779	1.7826	3.1320	2.5730		1.7858
H11	2.1503	3.6850	2.8904	2.7804	1.0958	3.7779	1.7826	2.5730	3.1320	1.7858

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.755	C1	C4	H8	109.444
C1	C4	H9	109.444	C1	C5	H7	110.755
C1	C5	H10	109.444	C1	C5	H11	109.444
Cl2	C1	Cl3	108.598	Cl2	C1	C4	108.768
Cl2	C1	C5	108.768	Cl3	C1	C4	108.768
Cl3	C1	C5	108.768	C4	C1	C5	113.081
H6	C4	H8	109.015	H6	C4	H9	109.015
H7	C5	H10	109.015	H7	C5	H11	109.015
H8	C4	H9	109.144	H10	C5	H11	109.144

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

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

States and conformations

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