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	hartrees
Energy at 0K	-1037.008053
Energy at 298.15K
HF Energy	-1036.087798
Nuclear repulsion energy	297.622331

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	3237	3043	2.95	60.17	0.75	0.85
2	A₁	3122	2934	5.52	182.81	0.00	0.01
3	A₁	1525	1434	2.90	19.45	0.75	0.86
4	A₁	1441	1354	6.85	1.71	0.37	0.54
5	A₁	1207	1135	32.09	0.93	0.24	0.39
6	A₁	970	912	6.33	6.05	0.72	0.84
7	A₁	592	556	12.42	13.27	0.03	0.05
8	A₁	373	351	0.48	1.43	0.30	0.46
9	A₁	265	249	1.20	2.67	0.66	0.80
10	A₂	3218	3024	0.00	8.68	0.75	0.86
11	A₂	1513	1422	0.00	19.80	0.75	0.86
12	A₂	1043	981	0.00	1.62	0.75	0.86
13	A₂	298	280	0.00	0.40	0.75	0.86
14	A₂	288	270	0.00	0.62	0.75	0.86
15	B₁	3222	3029	7.89	101.13	0.75	0.86
16	B₁	1536	1443	5.68	0.00	0.75	0.86
17	B₁	1160	1090	81.92	0.78	0.75	0.86
18	B₁	728	685	74.22	10.03	0.75	0.86
19	B₁	371	349	1.73	0.83	0.75	0.86
20	B₁	326	306	0.01	0.00	0.75	0.86
21	B₂	3236	3041	1.26	29.42	0.75	0.86
22	B₂	3119	2932	2.04	0.38	0.75	0.86
23	B₂	1511	1420	3.84	0.03	0.75	0.86
24	B₂	1426	1340	15.40	2.52	0.75	0.86
25	B₂	1251	1176	4.70	0.66	0.75	0.86
26	B₂	975	916	0.17	1.85	0.75	0.86
27	B₂	399	375	2.51	1.06	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.329
Cl2	1.448	0.000	-0.711
Cl3	-1.448	0.000	-0.711
C4	0.000	1.260	1.164
C5	0.000	-1.260	1.164
H6	0.000	2.141	0.529
H7	0.000	-2.141	0.529
H8	-0.888	1.275	1.794
H9	0.888	1.275	1.794
H10	0.888	-1.275	1.794
H11	-0.888	-1.275	1.794

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.7829	1.7829	1.5114	1.5114	2.1504	2.1504	2.1355	2.1355	2.1355	2.1355
Cl2	1.7829		2.8955	2.6835	2.6835	2.8667	2.8667	3.6551	2.8665	2.8665	3.6551
Cl3	1.7829	2.8955		2.6835	2.6835	2.8667	2.8667	2.8665	3.6551	3.6551	2.8665
C4	1.5114	2.6835	2.6835		2.5192	1.0869	3.4597	1.0890	1.0890	2.7584	2.7584
C5	1.5114	2.6835	2.6835	2.5192		3.4597	1.0869	2.7584	2.7584	1.0890	1.0890
H6	2.1504	2.8667	2.8667	1.0869	3.4597		4.2823	1.7724	1.7724	3.7496	3.7496
H7	2.1504	2.8667	2.8667	3.4597	1.0869	4.2823		3.7496	3.7496	1.7724	1.7724
H8	2.1355	3.6551	2.8665	1.0890	2.7584	1.7724	3.7496		1.7763	3.1073	2.5495
H9	2.1355	2.8665	3.6551	1.0890	2.7584	1.7724	3.7496	1.7763		2.5495	3.1073
H10	2.1355	2.8665	3.6551	2.7584	1.0890	3.7496	1.7724	3.1073	2.5495		1.7763
H11	2.1355	3.6551	2.8665	2.7584	1.0890	3.7496	1.7724	2.5495	3.1073	1.7763

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.654	C1	C4	H8	109.344
C1	C4	H9	109.344	C1	C5	H7	110.654
C1	C5	H10	109.344	C1	C5	H11	109.344
Cl2	C1	Cl3	108.589	Cl2	C1	C4	108.815
Cl2	C1	C5	108.815	Cl3	C1	C4	108.815
Cl3	C1	C5	108.815	C4	C1	C5	112.907
H6	C4	H8	109.095	H6	C4	H9	109.095
H7	C5	H10	109.095	H7	C5	H11	109.095
H8	C4	H9	109.289	H10	C5	H11	109.289

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

using model chemistry: MP2=FULL/6-31G(2df,p)

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=FULL/6-31G(2df,p)

States and conformations

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