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	hartrees
Energy at 0K	-1037.077895
Energy at 298.15K
HF Energy	-1036.168828
Nuclear repulsion energy	296.988197

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	3197	3042	5.37	63.48	0.74	0.85
2	A₁	3087	2937	9.58	268.84	0.00	0.00
3	A₁	1499	1427	3.78	9.44	0.75	0.86
4	A₁	1421	1352	6.04	0.17	0.75	0.86
5	A₁	1189	1131	28.39	1.89	0.61	0.76
6	A₁	951	905	7.31	5.90	0.65	0.79
7	A₁	580	552	12.42	13.05	0.03	0.05
8	A₁	364	347	0.34	1.59	0.37	0.54
9	A₁	259	247	1.01	2.95	0.65	0.79
10	A₂	3176	3022	0.00	10.99	0.75	0.86
11	A₂	1486	1414	0.00	10.73	0.75	0.86
12	A₂	1026	976	0.00	0.68	0.75	0.86
13	A₂	287	273	0.00	1.30	0.75	0.86
14	A₂	271	258	0.00	0.07	0.75	0.86
15	B₁	3181	3027	13.14	104.05	0.75	0.86
16	B₁	1509	1435	5.29	0.04	0.75	0.86
17	B₁	1144	1088	68.71	3.38	0.75	0.86
18	B₁	705	671	72.75	10.68	0.75	0.86
19	B₁	362	345	1.65	1.19	0.75	0.86
20	B₁	311	295	0.00	0.01	0.75	0.86
21	B₂	3195	3040	2.93	31.12	0.75	0.86
22	B₂	3084	2934	3.93	1.04	0.75	0.86
23	B₂	1485	1413	3.98	0.05	0.75	0.86
24	B₂	1406	1338	15.38	0.26	0.75	0.86
25	B₂	1229	1170	4.37	1.72	0.75	0.86
26	B₂	957	911	0.00	1.03	0.75	0.86
27	B₂	391	372	2.53	1.04	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.332
Cl2	1.453	0.000	-0.712
Cl3	-1.453	0.000	-0.712
C4	0.000	1.263	1.166
C5	0.000	-1.263	1.166
H6	0.000	2.140	0.525
H7	0.000	-2.140	0.525
H8	-0.889	1.278	1.794
H9	0.889	1.278	1.794
H10	0.889	-1.278	1.794
H11	-0.889	-1.278	1.794

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.7892	1.7892	1.5130	1.5130	2.1486	2.1486	2.1353	2.1353	2.1353	2.1353
Cl2	1.7892		2.9052	2.6892	2.6892	2.8672	2.8672	3.6602	2.8693	2.8693	3.6602
Cl3	1.7892	2.9052		2.6892	2.6892	2.8672	2.8672	2.8693	3.6602	3.6602	2.8693
C4	1.5130	2.6892	2.6892		2.5254	1.0862	3.4624	1.0885	1.0885	2.7640	2.7640
C5	1.5130	2.6892	2.6892	2.5254		3.4624	1.0862	2.7640	2.7640	1.0885	1.0885
H6	2.1486	2.8672	2.8672	1.0862	3.4624		4.2799	1.7728	1.7728	3.7525	3.7525
H7	2.1486	2.8672	2.8672	3.4624	1.0862	4.2799		3.7525	3.7525	1.7728	1.7728
H8	2.1353	3.6602	2.8693	1.0885	2.7640	1.7728	3.7525		1.7775	3.1132	2.5559
H9	2.1353	2.8693	3.6602	1.0885	2.7640	1.7728	3.7525	1.7775		2.5559	3.1132
H10	2.1353	2.8693	3.6602	2.7640	1.0885	3.7525	1.7728	3.1132	2.5559		1.7775
H11	2.1353	3.6602	2.8693	2.7640	1.0885	3.7525	1.7728	2.5559	3.1132	1.7775

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.439	C1	C4	H8	109.246
C1	C4	H9	109.246	C1	C5	H7	110.439
C1	C5	H10	109.246	C1	C5	H11	109.246
Cl2	C1	Cl3	108.560	Cl2	C1	C4	108.761
Cl2	C1	C5	108.761	Cl3	C1	C4	108.761
Cl3	C1	C5	108.761	C4	C1	C5	113.146
H6	C4	H8	109.212	H6	C4	H9	109.212
H7	C5	H10	109.212	H7	C5	H11	109.212
H8	C4	H9	109.469	H10	C5	H11	109.469

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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