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	hartrees
Energy at 0K	-1037.129861
Energy at 298.15K
HF Energy	-1036.168869
Nuclear repulsion energy	296.400985

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3179	3179	7.98
2	A₁	3081	3081	11.48
3	A₁	1511	1511	3.30
4	A₁	1446	1446	5.04
5	A₁	1207	1207	27.25
6	A₁	957	957	6.90
7	A₁	584	584	12.37
8	A₁	368	368	0.33
9	A₁	262	262	1.04
10	A₂	3157	3157	0.00
11	A₂	1499	1499	0.00
12	A₂	1040	1040	0.00
13	A₂	288	288	0.00
14	A₂	268	268	0.00
15	B₁	3163	3163	18.46
16	B₁	1519	1519	4.87
17	B₁	1164	1164	69.92
18	B₁	717	717	70.03
19	B₁	365	365	1.62
20	B₁	306	306	0.00
21	B₂	3177	3177	4.68
22	B₂	3077	3077	4.63
23	B₂	1497	1497	3.68
24	B₂	1432	1432	12.52
25	B₂	1240	1240	3.67
26	B₂	968	968	0.01
27	B₂	395	395	2.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.332
Cl2	1.455	0.000	-0.715
Cl3	-1.455	0.000	-0.715
C4	0.000	1.264	1.170
C5	0.000	-1.264	1.170
H6	0.000	2.144	0.533
H7	0.000	-2.144	0.533
H8	-0.888	1.280	1.800
H9	0.888	1.280	1.800
H10	0.888	-1.280	1.800
H11	-0.888	-1.280	1.800

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.7925	1.7925	1.5165	1.5165	2.1536	2.1536	2.1403	2.1403	2.1403	2.1403
Cl2	1.7925		2.9101	2.6956	2.6956	2.8759	2.8759	3.6675	2.8778	2.8778	3.6675
Cl3	1.7925	2.9101		2.6956	2.6956	2.8759	2.8759	2.8778	3.6675	3.6675	2.8778
C4	1.5165	2.6956	2.6956		2.5283	1.0865	3.4675	1.0890	1.0890	2.7674	2.7674
C5	1.5165	2.6956	2.6956	2.5283		3.4675	1.0865	2.7674	2.7674	1.0890	1.0890
H6	2.1536	2.8759	2.8759	1.0865	3.4675		4.2886	1.7723	1.7723	3.7577	3.7577
H7	2.1536	2.8759	2.8759	3.4675	1.0865	4.2886		3.7577	3.7577	1.7723	1.7723
H8	2.1403	3.6675	2.8778	1.0890	2.7674	1.7723	3.7577		1.7764	3.1160	2.5601
H9	2.1403	2.8778	3.6675	1.0890	2.7674	1.7723	3.7577	1.7764		2.5601	3.1160
H10	2.1403	2.8778	3.6675	2.7674	1.0890	3.7577	1.7723	3.1160	2.5601		1.7764
H11	2.1403	3.6675	2.8778	2.7674	1.0890	3.7577	1.7723	2.5601	3.1160	1.7764

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.570	C1	C4	H8	109.368
C1	C4	H9	109.368	C1	C5	H7	110.570
C1	C5	H10	109.368	C1	C5	H11	109.368
Cl2	C1	Cl3	108.534	Cl2	C1	C4	108.819
Cl2	C1	C5	108.819	Cl3	C1	C4	108.819
Cl3	C1	C5	108.819	C4	C1	C5	112.943
H6	C4	H8	109.108	H6	C4	H9	109.108
H7	C5	H10	109.108	H7	C5	H11	109.108
H8	C4	H9	109.298	H10	C5	H11	109.298

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

using model chemistry: CCD/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: CCD/Def2TZVPP

States and conformations

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