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	hartrees
Energy at 0K	-1031.875160
Energy at 298.15K
HF Energy	-1031.256852
Nuclear repulsion energy	292.540991

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3178	3178	5.62
2	A₁	3091	3091	7.28
3	A₁	1580	1580	4.22
4	A₁	1509	1509	7.47
5	A₁	1248	1248	28.09
6	A₁	923	923	8.47
7	A₁	559	559	14.40
8	A₁	374	374	0.87
9	A₁	263	263	1.26
10	A₂	3158	3158	0.00
11	A₂	1572	1572	0.00
12	A₂	1098	1098	0.00
13	A₂	297	297	0.00
14	A₂	287	287	0.00
15	B₁	3163	3163	14.05
16	B₁	1589	1589	10.82
17	B₁	1215	1215	75.90
18	B₁	670	670	80.18
19	B₁	367	367	1.97
20	B₁	312	312	0.02
21	B₂	3176	3176	4.50
22	B₂	3087	3087	2.61
23	B₂	1568	1568	6.62
24	B₂	1493	1493	18.85
25	B₂	1228	1228	6.81
26	B₂	992	992	0.06
27	B₂	397	397	3.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.342
Cl2	1.476	0.000	-0.725
Cl3	-1.476	0.000	-0.725
C4	0.000	1.280	1.188
C5	0.000	-1.280	1.188
H6	0.000	2.161	0.540
H7	0.000	-2.161	0.540
H8	-0.895	1.292	1.818
H9	0.895	1.292	1.818
H10	0.895	-1.292	1.818
H11	-0.895	-1.292	1.818

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8211	1.8211	1.5345	1.5345	2.1703	2.1703	2.1567	2.1567	2.1567	2.1567
Cl2	1.8211		2.9515	2.7343	2.7343	2.9070	2.9070	3.7096	2.9115	2.9115	3.7096
Cl3	1.8211	2.9515		2.7343	2.7343	2.9070	2.9070	2.9115	3.7096	3.7096	2.9115
C4	1.5345	2.7343	2.7343		2.5608	1.0930	3.5019	1.0951	1.0951	2.7961	2.7961
C5	1.5345	2.7343	2.7343	2.5608		3.5019	1.0930	2.7961	2.7961	1.0951	1.0951
H6	2.1703	2.9070	2.9070	1.0930	3.5019		4.3224	1.7858	1.7858	3.7896	3.7896
H7	2.1703	2.9070	2.9070	3.5019	1.0930	4.3224		3.7896	3.7896	1.7858	1.7858
H8	2.1567	3.7096	2.9115	1.0951	2.7961	1.7858	3.7896		1.7904	3.1443	2.5848
H9	2.1567	2.9115	3.7096	1.0951	2.7961	1.7858	3.7896	1.7904		2.5848	3.1443
H10	2.1567	2.9115	3.7096	2.7961	1.0951	3.7896	1.7858	3.1443	2.5848		1.7904
H11	2.1567	3.7096	2.9115	2.7961	1.0951	3.7896	1.7858	2.5848	3.1443	1.7904

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.241	C1	C4	H8	109.059
C1	C4	H9	109.059	C1	C5	H7	110.241
C1	C5	H10	109.059	C1	C5	H11	109.059
Cl2	C1	Cl3	108.258	Cl2	C1	C4	108.843
Cl2	C1	C5	108.843	Cl3	C1	C4	108.843
Cl3	C1	C5	108.843	C4	C1	C5	113.103
H6	C4	H8	109.401	H6	C4	H9	109.401
H7	C5	H10	109.401	H7	C5	H11	109.401
H8	C4	H9	109.666	H10	C5	H11	109.666

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

using model chemistry: MP3=FULL/3-21G*

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/3-21G*

States and conformations

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