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	hartrees
Energy at 0K	-1036.744360
Energy at 298.15K
HF Energy	-1036.116400
Nuclear repulsion energy	295.137851

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3275	3018	8.16
2	A₁	3166	2918	12.78
3	A₁	1534	1414	2.70
4	A₁	1475	1360	3.98
5	A₁	1238	1141	36.41
6	A₁	984	907	8.09
7	A₁	595	549	16.45
8	A₁	379	350	0.50
9	A₁	270	249	1.17
10	A₂	3251	2997	0.00
11	A₂	1522	1403	0.00
12	A₂	1063	979	0.00
13	A₂	298	275	0.00
14	A₂	288	265	0.00
15	B₁	3257	3002	20.62
16	B₁	1544	1423	5.25
17	B₁	1190	1097	84.41
18	B₁	727	671	89.74
19	B₁	378	349	2.18
20	B₁	324	299	0.00
21	B₂	3273	3017	4.90
22	B₂	3161	2914	6.00
23	B₂	1521	1402	3.39
24	B₂	1461	1347	10.11
25	B₂	1280	1180	5.38
26	B₂	993	915	0.06
27	B₂	408	376	3.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.338
Cl2	1.462	0.000	-0.717
Cl3	-1.462	0.000	-0.717
C4	0.000	1.269	1.173
C5	0.000	-1.269	1.173
H6	0.000	2.153	0.530
H7	0.000	-2.153	0.530
H8	-0.893	1.288	1.807
H9	0.893	1.288	1.807
H10	0.893	-1.288	1.807
H11	-0.893	-1.288	1.807

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8027	1.8027	1.5190	1.5190	2.1618	2.1618	2.1481	2.1481	2.1481	2.1481
Cl2	1.8027		2.9233	2.7052	2.7052	2.8858	2.8858	3.6843	2.8901	2.8901	3.6843
Cl3	1.8027	2.9233		2.7052	2.7052	2.8858	2.8858	2.8901	3.6843	3.6843	2.8901
C4	1.5190	2.7052	2.7052		2.5381	1.0932	3.4821	1.0956	1.0956	2.7818	2.7818
C5	1.5190	2.7052	2.7052	2.5381		3.4821	1.0932	2.7818	2.7818	1.0956	1.0956
H6	2.1618	2.8858	2.8858	1.0932	3.4821		4.3065	1.7825	1.7825	3.7776	3.7776
H7	2.1618	2.8858	2.8858	3.4821	1.0932	4.3065		3.7776	3.7776	1.7825	1.7825
H8	2.1481	3.6843	2.8901	1.0956	2.7818	1.7825	3.7776		1.7863	3.1346	2.5759
H9	2.1481	2.8901	3.6843	1.0956	2.7818	1.7825	3.7776	1.7863		2.5759	3.1346
H10	2.1481	2.8901	3.6843	2.7818	1.0956	3.7776	1.7825	3.1346	2.5759		1.7863
H11	2.1481	3.6843	2.8901	2.7818	1.0956	3.7776	1.7825	2.5759	3.1346	1.7863

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.648	C1	C4	H8	109.422
C1	C4	H9	109.422	C1	C5	H7	110.648
C1	C5	H10	109.422	C1	C5	H11	109.422
Cl2	C1	Cl3	108.355	Cl2	C1	C4	108.761
Cl2	C1	C5	108.761	Cl3	C1	C4	108.761
Cl3	C1	C5	108.761	C4	C1	C5	113.331
H6	C4	H8	109.055	H6	C4	H9	109.055
H7	C5	H10	109.055	H7	C5	H11	109.055
H8	C4	H9	109.218	H10	C5	H11	109.218

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

using model chemistry: CISD/cc-pVDZ

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/cc-pVDZ

States and conformations

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