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	hartrees
Energy at 0K	-1037.212656
Energy at 298.15K	-1037.205422
HF Energy	-1036.063651
Nuclear repulsion energy	295.738097

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	3325	3133	12.88	78.59	0.72	0.84
2	A₁	3233	3046	18.46	203.34	0.01	0.02
3	A₁	1635	1541	1.76	26.40	0.75	0.86
4	A₁	1580	1489	2.94	1.57	0.45	0.62
5	A₁	1303	1227	33.43	1.94	0.43	0.60
6	A₁	1004	946	11.68	11.16	0.75	0.86
7	A₁	606	571	22.01	17.85	0.05	0.09
8	A₁	393	371	0.63	2.43	0.36	0.53
9	A₁	280	264	1.28	3.55	0.66	0.79
10	A₂	3298	3107	0.00	8.89	0.75	0.86
11	A₂	1624	1530	0.00	26.08	0.75	0.86
12	A₂	1133	1068	0.00	3.61	0.75	0.86
13	A₂	307	289	0.00	1.04	0.75	0.86
14	A₂	293	276	0.00	0.06	0.75	0.86
15	B₁	3306	3115	30.83	130.58	0.75	0.86
16	B₁	1644	1549	5.48	0.00	0.75	0.86
17	B₁	1258	1185	97.94	1.86	0.75	0.86
18	B₁	742	699	125.54	21.42	0.75	0.86
19	B₁	389	367	2.66	1.63	0.75	0.86
20	B₁	329	310	0.02	0.00	0.75	0.86
21	B₂	3324	3132	9.69	38.69	0.75	0.86
22	B₂	3227	3040	8.15	0.04	0.75	0.86
23	B₂	1622	1528	4.07	0.01	0.75	0.86
24	B₂	1562	1472	7.15	3.06	0.75	0.86
25	B₂	1317	1241	3.96	1.28	0.75	0.86
26	B₂	1041	981	0.19	3.67	0.75	0.86
27	B₂	420	396	4.16	1.41	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.332
Cl2	1.457	0.000	-0.713
Cl3	-1.457	0.000	-0.713
C4	0.000	1.264	1.167
C5	0.000	-1.264	1.167
H6	0.000	2.148	0.529
H7	0.000	-2.148	0.529
H8	-0.891	1.281	1.800
H9	0.891	1.281	1.800
H10	0.891	-1.281	1.800
H11	-0.891	-1.281	1.800

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.7932	1.7932	1.5152	1.5152	2.1574	2.1574	2.1425	2.1425	2.1425	2.1425
Cl2	1.7932		2.9141	2.6939	2.6939	2.8777	2.8777	3.6701	2.8772	2.8772	3.6701
Cl3	1.7932	2.9141		2.6939	2.6939	2.8777	2.8777	2.8772	3.6701	3.6701	2.8772
C4	1.5152	2.6939	2.6939		2.5282	1.0906	3.4717	1.0926	1.0926	2.7701	2.7701
C5	1.5152	2.6939	2.6939	2.5282		3.4717	1.0906	2.7701	2.7701	1.0926	1.0926
H6	2.1574	2.8777	2.8777	1.0906	3.4717		4.2967	1.7777	1.7777	3.7646	3.7646
H7	2.1574	2.8777	2.8777	3.4717	1.0906	4.2967		3.7646	3.7646	1.7777	1.7777
H8	2.1425	3.6701	2.8772	1.0926	2.7701	1.7777	3.7646		1.7813	3.1211	2.5629
H9	2.1425	2.8772	3.6701	1.0926	2.7701	1.7777	3.7646	1.7813		2.5629	3.1211
H10	2.1425	2.8772	3.6701	2.7701	1.0926	3.7646	1.7777	3.1211	2.5629		1.7813
H11	2.1425	3.6701	2.8772	2.7701	1.0926	3.7646	1.7777	2.5629	3.1211	1.7813

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.909	C1	C4	H8	109.464
C1	C4	H9	109.464	C1	C5	H7	110.909
C1	C5	H10	109.464	C1	C5	H11	109.464
Cl2	C1	Cl3	108.350	Cl2	C1	C4	108.860
Cl2	C1	C5	108.860	Cl3	C1	C4	108.860
Cl3	C1	C5	108.860	C4	C1	C5	112.953
H6	C4	H8	108.960	H6	C4	H9	108.960
H7	C5	H10	108.960	H7	C5	H11	108.960
H8	C4	H9	109.056	H10	C5	H11	109.056

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

using model chemistry: G3MP2

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: G3MP2

States and conformations

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