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	hartrees
Energy at 0K	-1031.804693
Energy at 298.15K
HF Energy	-1031.256945
Nuclear repulsion energy	292.668978

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3195	3039	4.55	61.61	0.74	0.85
2	A₁	3100	2949	5.93	163.86	0.01	0.01
3	A₁	1586	1509	4.13	32.22	0.75	0.86
4	A₁	1508	1435	6.99	3.60	0.41	0.58
5	A₁	1249	1188	29.53	1.14	0.17	0.29
6	A₁	919	875	9.40	8.08	0.75	0.86
7	A₁	556	529	14.74	13.62	0.04	0.08
8	A₁	375	356	1.00	2.32	0.31	0.47
9	A₁	263	250	1.25	4.20	0.65	0.79
10	A₂	3176	3022	0.00	7.11	0.75	0.86
11	A₂	1578	1501	0.00	32.20	0.75	0.86
12	A₂	1101	1047	0.00	4.02	0.75	0.86
13	A₂	299	285	0.00	0.82	0.75	0.86
14	A₂	289	275	0.00	0.53	0.75	0.86
15	B₁	3182	3027	11.45	106.15	0.75	0.86
16	B₁	1596	1518	10.73	0.01	0.75	0.86
17	B₁	1216	1157	78.12	0.41	0.75	0.86
18	B₁	662	630	85.25	14.01	0.75	0.86
19	B₁	368	350	2.21	1.58	0.75	0.86
20	B₁	317	301	0.02	0.00	0.75	0.86
21	B₂	3193	3038	3.54	31.77	0.75	0.86
22	B₂	3097	2946	2.07	0.02	0.75	0.86
23	B₂	1574	1497	6.55	0.00	0.75	0.86
24	B₂	1493	1420	18.00	6.53	0.75	0.86
25	B₂	1226	1167	7.92	0.05	0.75	0.86
26	B₂	992	944	0.02	2.19	0.75	0.86
27	B₂	397	378	3.15	1.57	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.343
Cl2	1.475	0.000	-0.724
Cl3	-1.475	0.000	-0.724
C4	0.000	1.280	1.186
C5	0.000	-1.280	1.186
H6	0.000	2.160	0.538
H7	0.000	-2.160	0.538
H8	-0.895	1.293	1.816
H9	0.895	1.293	1.816
H10	0.895	-1.293	1.816
H11	-0.895	-1.293	1.816

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8212	1.8212	1.5331	1.5331	2.1688	2.1688	2.1546	2.1546	2.1546	2.1546
Cl2	1.8212		2.9509	2.7326	2.7326	2.9046	2.9046	3.7073	2.9092	2.9092	3.7073
Cl3	1.8212	2.9509		2.7326	2.7326	2.9046	2.9046	2.9092	3.7073	3.7073	2.9092
C4	1.5331	2.7326	2.7326		2.5609	1.0924	3.5009	1.0943	1.0943	2.7965	2.7965
C5	1.5331	2.7326	2.7326	2.5609		3.5009	1.0924	2.7965	2.7965	1.0943	1.0943
H6	2.1688	2.9046	2.9046	1.0924	3.5009		4.3199	1.7846	1.7846	3.7891	3.7891
H7	2.1688	2.9046	2.9046	3.5009	1.0924	4.3199		3.7891	3.7891	1.7846	1.7846
H8	2.1546	3.7073	2.9092	1.0943	2.7965	1.7846	3.7891		1.7894	3.1449	2.5862
H9	2.1546	2.9092	3.7073	1.0943	2.7965	1.7846	3.7891	1.7894		2.5862	3.1449
H10	2.1546	2.9092	3.7073	2.7965	1.0943	3.7891	1.7846	3.1449	2.5862		1.7894
H11	2.1546	3.7073	2.9092	2.7965	1.0943	3.7891	1.7846	2.5862	3.1449	1.7894

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.261	C1	C4	H8	109.040
C1	C4	H9	109.040	C1	C5	H7	110.261
C1	C5	H10	109.040	C1	C5	H11	109.040
Cl2	C1	Cl3	108.227	Cl2	C1	C4	108.805
Cl2	C1	C5	108.805	Cl3	C1	C4	108.805
Cl3	C1	C5	108.805	C4	C1	C5	113.278
H6	C4	H8	109.398	H6	C4	H9	109.398
H7	C5	H10	109.398	H7	C5	H11	109.398
H8	C4	H9	109.692	H10	C5	H11	109.692

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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