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	hartrees
Energy at 0K	-1036.951738
Energy at 298.15K
HF Energy	-1036.126832
Nuclear repulsion energy	293.599708

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3188	3188	8.43
2	A₁	3082	3082	12.91
3	A₁	1489	1489	3.59
4	A₁	1426	1426	4.75
5	A₁	1194	1194	29.50
6	A₁	952	952	6.33
7	A₁	576	576	13.32
8	A₁	369	369	0.55
9	A₁	260	260	1.03
10	A₂	3162	3162	0.00
11	A₂	1478	1478	0.00
12	A₂	1025	1025	0.00
13	A₂	290	290	0.00
14	A₂	266	266	0.00
15	B₁	3168	3168	20.06
16	B₁	1500	1500	4.74
17	B₁	1145	1145	74.02
18	B₁	690	690	77.48
19	B₁	367	367	2.25
20	B₁	304	304	0.01
21	B₂	3186	3186	4.78
22	B₂	3079	3079	4.31
23	B₂	1476	1476	2.73
24	B₂	1413	1413	13.62
25	B₂	1244	1244	3.22
26	B₂	959	959	0.01
27	B₂	396	396	2.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.344
Cl2	1.470	0.000	-0.721
Cl3	-1.470	0.000	-0.721
C4	0.000	1.275	1.178
C5	0.000	-1.275	1.178
H6	0.000	2.160	0.529
H7	0.000	-2.160	0.529
H8	-0.898	1.294	1.813
H9	0.898	1.294	1.813
H10	0.898	-1.294	1.813
H11	-0.898	-1.294	1.813

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8156	1.8156	1.5236	1.5236	2.1681	2.1681	2.1538	2.1538	2.1538	2.1538
Cl2	1.8156		2.9407	2.7191	2.7191	2.8965	2.8965	3.7020	2.9024	2.9024	3.7020
Cl3	1.8156	2.9407		2.7191	2.7191	2.8965	2.8965	2.9024	3.7020	3.7020	2.9024
C4	1.5236	2.7191	2.7191		2.5507	1.0974	3.4963	1.1001	1.1001	2.7952	2.7952
C5	1.5236	2.7191	2.7191	2.5507		3.4963	1.0974	2.7952	2.7952	1.1001	1.1001
H6	2.1681	2.8965	2.8965	1.0974	3.4963		4.3204	1.7904	1.7904	3.7934	3.7934
H7	2.1681	2.8965	2.8965	3.4963	1.0974	4.3204		3.7934	3.7934	1.7904	1.7904
H8	2.1538	3.7020	2.9024	1.1001	2.7952	1.7904	3.7934		1.7957	3.1506	2.5887
H9	2.1538	2.9024	3.7020	1.1001	2.7952	1.7904	3.7934	1.7957		2.5887	3.1506
H10	2.1538	2.9024	3.7020	2.7952	1.1001	3.7934	1.7904	3.1506	2.5887		1.7957
H11	2.1538	3.7020	2.9024	2.7952	1.1001	3.7934	1.7904	2.5887	3.1506	1.7957

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.569	C1	C4	H8	109.295
C1	C4	H9	109.295	C1	C5	H7	110.569
C1	C5	H10	109.295	C1	C5	H11	109.295
Cl2	C1	Cl3	108.159	Cl2	C1	C4	108.720
Cl2	C1	C5	108.720	Cl3	C1	C4	108.720
Cl3	C1	C5	108.720	C4	C1	C5	113.666
H6	C4	H8	109.128	H6	C4	H9	109.128
H7	C5	H10	109.128	H7	C5	H11	109.128
H8	C4	H9	109.409	H10	C5	H11	109.409

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

using model chemistry: MP3=FULL/aug-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: MP3=FULL/aug-cc-pVDZ

States and conformations

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