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	hartrees
Energy at 0K	-1036.742669
Energy at 298.15K
HF Energy	-1036.116398
Nuclear repulsion energy	295.221340

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3277	3028	7.95
2	A₁	3168	2927	12.47
3	A₁	1535	1418	2.71
4	A₁	1476	1364	4.08
5	A₁	1239	1145	36.40
6	A₁	985	910	8.00
7	A₁	597	551	16.22
8	A₁	380	351	0.49
9	A₁	271	250	1.18
10	A₂	3254	3007	0.00
11	A₂	1523	1407	0.00
12	A₂	1063	982	0.00
13	A₂	298	276	0.00
14	A₂	288	266	0.00
15	B₁	3260	3012	20.08
16	B₁	1544	1427	5.31
17	B₁	1191	1100	84.31
18	B₁	731	675	87.99
19	B₁	379	350	2.13
20	B₁	324	300	0.00
21	B₂	3275	3026	4.75
22	B₂	3163	2923	5.84
23	B₂	1521	1406	3.39
24	B₂	1462	1351	10.31
25	B₂	1281	1183	5.42
26	B₂	993	918	0.06
27	B₂	409	378	3.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.337
Cl2	1.461	0.000	-0.717
Cl3	-1.461	0.000	-0.717
C4	0.000	1.269	1.172
C5	0.000	-1.269	1.172
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		1.8018	1.8018	1.5189	1.5189	2.1617	2.1617	2.1481	2.1481	2.1481	2.1481
Cl2	1.8018		2.9221	2.7045	2.7045	2.8854	2.8854	3.6835	2.8896	2.8896	3.6835
Cl3	1.8018	2.9221		2.7045	2.7045	2.8854	2.8854	2.8896	3.6835	3.6835	2.8896
C4	1.5189	2.7045	2.7045		2.5376	1.0931	3.4817	1.0955	1.0955	2.7812	2.7812
C5	1.5189	2.7045	2.7045	2.5376		3.4817	1.0931	2.7812	2.7812	1.0955	1.0955
H6	2.1617	2.8854	2.8854	1.0931	3.4817		4.3062	1.7822	1.7822	3.7771	3.7771
H7	2.1617	2.8854	2.8854	3.4817	1.0931	4.3062		3.7771	3.7771	1.7822	1.7822
H8	2.1481	3.6835	2.8896	1.0955	2.7812	1.7822	3.7771		1.7860	3.1340	2.5754
H9	2.1481	2.8896	3.6835	1.0955	2.7812	1.7822	3.7771	1.7860		2.5754	3.1340
H10	2.1481	2.8896	3.6835	2.7812	1.0955	3.7771	1.7822	3.1340	2.5754		1.7860
H11	2.1481	3.6835	2.8896	2.7812	1.0955	3.7771	1.7822	2.5754	3.1340	1.7860

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.649	C1	C4	H8	109.432
C1	C4	H9	109.432	C1	C5	H7	110.649
C1	C5	H10	109.432	C1	C5	H11	109.432
Cl2	C1	Cl3	108.365	Cl2	C1	C4	108.767
Cl2	C1	C5	108.767	Cl3	C1	C4	108.767
Cl3	C1	C5	108.767	C4	C1	C5	113.300
H6	C4	H8	109.048	H6	C4	H9	109.048
H7	C5	H10	109.048	H7	C5	H11	109.048
H8	C4	H9	109.211	H10	C5	H11	109.211

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

using model chemistry: CID/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: CID/cc-pVDZ

States and conformations

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