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	hartrees
Energy at 0K
Energy at 298.15K	-0.071157
HF Energy	-0.071157
Nuclear repulsion energy	125.217527

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2787	2960	43.96
2	A₁	2684	2851	144.58
3	A₁	1339	1423	68.99
4	A₁	1240	1317	51.97
5	A₁	1179	1252	257.05
6	A₁	982	1043	0.11
7	A₁	644	684	48.48
8	A₁	375	398	0.10
9	A₁	249	265	2.69
10	A₂	2685	2852	0.00
11	A₂	1233	1310	0.00
12	A₂	990	1052	0.00
13	A₂	281	299	0.00
14	A₂	181	192	0.00
15	B₁	2690	2858	180.97
16	B₁	1238	1316	111.79
17	B₁	1122	1192	357.44
18	B₁	680	723	169.18
19	B₁	379	402	0.08
20	B₁	199	211	0.00
21	B₂	2782	2956	81.45
22	B₂	2681	2848	71.24
23	B₂	1333	1416	66.77
24	B₂	1289	1370	137.44
25	B₂	1225	1301	55.72
26	B₂	978	1039	24.55
27	B₂	403	428	2.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.372
Cl2	1.428	0.000	-0.723
Cl3	-1.428	0.000	-0.723
C4	0.000	1.278	1.171
C5	0.000	-1.278	1.171
H6	0.000	2.170	0.522
H7	0.000	-2.170	0.522
H8	-0.888	1.354	1.816
H9	0.888	1.354	1.816
H10	0.888	-1.354	1.816
H11	-0.888	-1.354	1.816

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.7993	1.7993	1.5070	1.5070	2.1747	2.1747	2.1695	2.1695	2.1695	2.1695
Cl2	1.7993		2.8561	2.6940	2.6940	2.8805	2.8805	3.6935	2.9274	2.9274	3.6935
Cl3	1.7993	2.8561		2.6940	2.6940	2.8805	2.8805	2.9274	3.6935	3.6935	2.9274
C4	1.5070	2.6940	2.6940		2.5557	1.1023	3.5078	1.1002	1.1002	2.8516	2.8516
C5	1.5070	2.6940	2.6940	2.5557		3.5078	1.1023	2.8516	2.8516	1.1002	1.1002
H6	2.1747	2.8805	2.8805	1.1023	3.5078		4.3390	1.7680	1.7680	3.8569	3.8569
H7	2.1747	2.8805	2.8805	3.5078	1.1023	4.3390		3.8569	3.8569	1.7680	1.7680
H8	2.1695	3.6935	2.9274	1.1002	2.8516	1.7680	3.8569		1.7760	3.2384	2.7080
H9	2.1695	2.9274	3.6935	1.1002	2.8516	1.7680	3.8569	1.7760		2.7080	3.2384
H10	2.1695	2.9274	3.6935	2.8516	1.1002	3.8569	1.7680	3.2384	2.7080		1.7760
H11	2.1695	3.6935	2.9274	2.8516	1.1002	3.8569	1.7680	2.7080	3.2384	1.7760

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	111.976	C1	C4	H8	111.684
C1	C4	H9	111.684	C1	C5	H7	111.976
C1	C5	H10	111.684	C1	C5	H11	111.684
Cl2	C1	Cl3	105.058	Cl2	C1	C4	108.814
Cl2	C1	C5	108.814	Cl3	C1	C4	108.814
Cl3	C1	C5	108.814	C4	C1	C5	115.975
H6	C4	H8	106.782	H6	C4	H9	106.782
H7	C5	H10	106.782	H7	C5	H11	106.782
H8	C4	H9	107.632	H10	C5	H11	107.632

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

using model chemistry: PM6

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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Number	Element	Mulliken
1	C	0.350
2	Cl	-0.191
3	Cl	-0.191
4	C	-0.548
5	C	-0.548
6	H	0.194
7	H	0.194
8	H	0.185
9	H	0.185
10	H	0.185
11	H	0.185

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: PM6

States and conformations

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