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	hartrees
Energy at 0K	-1036.939455
Energy at 298.15K
HF Energy	-1036.087943
Nuclear repulsion energy	296.469944

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	3229	3049	2.95	60.07	0.74	0.85
2	A₁	3112	2939	5.61	184.23	0.00	0.01
3	A₁	1512	1428	2.95	19.59	0.75	0.86
4	A₁	1433	1353	6.05	1.73	0.37	0.54
5	A₁	1198	1132	32.53	0.96	0.22	0.36
6	A₁	956	903	6.91	6.25	0.73	0.84
7	A₁	585	552	12.81	13.63	0.03	0.05
8	A₁	366	346	0.47	1.51	0.30	0.47
9	A₁	261	247	1.20	2.70	0.66	0.80
10	A₂	3208	3030	0.00	8.91	0.75	0.86
11	A₂	1499	1416	0.00	19.81	0.75	0.86
12	A₂	1032	975	0.00	1.80	0.75	0.86
13	A₂	289	273	0.00	0.82	0.75	0.86
14	A₂	281	265	0.00	0.23	0.75	0.86
15	B₁	3213	3035	7.99	102.35	0.75	0.86
16	B₁	1523	1438	5.68	0.00	0.75	0.86
17	B₁	1154	1090	81.96	0.81	0.75	0.86
18	B₁	718	678	75.44	10.27	0.75	0.86
19	B₁	365	345	1.83	0.89	0.75	0.86
20	B₁	318	300	0.01	0.00	0.75	0.86
21	B₂	3227	3048	1.22	29.98	0.75	0.86
22	B₂	3109	2937	2.02	0.43	0.75	0.86
23	B₂	1497	1414	3.83	0.04	0.75	0.86
24	B₂	1416	1338	14.47	2.55	0.75	0.86
25	B₂	1238	1169	5.07	0.61	0.75	0.86
26	B₂	963	909	0.13	1.91	0.75	0.86
27	B₂	394	372	2.61	1.09	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.334
Cl2	1.453	0.000	-0.714
Cl3	-1.453	0.000	-0.714
C4	0.000	1.267	1.168
C5	0.000	-1.267	1.168
H6	0.000	2.147	0.527
H7	0.000	-2.147	0.527
H8	-0.890	1.283	1.799
H9	0.890	1.283	1.799
H10	0.890	-1.283	1.799
H11	-0.890	-1.283	1.799

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.7916	1.7916	1.5168	1.5168	2.1556	2.1556	2.1411	2.1411	2.1411	2.1411
Cl2	1.7916		2.9062	2.6942	2.6942	2.8742	2.8742	3.6676	2.8770	2.8770	3.6676
Cl3	1.7916	2.9062		2.6942	2.6942	2.8742	2.8742	2.8770	3.6676	3.6676	2.8770
C4	1.5168	2.6942	2.6942		2.5336	1.0888	3.4734	1.0910	1.0910	2.7734	2.7734
C5	1.5168	2.6942	2.6942	2.5336		3.4734	1.0888	2.7734	2.7734	1.0910	1.0910
H6	2.1556	2.8742	2.8742	1.0888	3.4734		4.2938	1.7765	1.7765	3.7648	3.7648
H7	2.1556	2.8742	2.8742	3.4734	1.0888	4.2938		3.7648	3.7648	1.7765	1.7765
H8	2.1411	3.6676	2.8770	1.0910	2.7734	1.7765	3.7648		1.7803	3.1232	2.5661
H9	2.1411	2.8770	3.6676	1.0910	2.7734	1.7765	3.7648	1.7803		2.5661	3.1232
H10	2.1411	2.8770	3.6676	2.7734	1.0910	3.7648	1.7765	3.1232	2.5661		1.7803
H11	2.1411	3.6676	2.8770	2.7734	1.0910	3.7648	1.7765	2.5661	3.1232	1.7803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.569	C1	C4	H8	109.288
C1	C4	H9	109.288	C1	C5	H7	110.569
C1	C5	H10	109.288	C1	C5	H11	109.288
Cl2	C1	Cl3	108.401	Cl2	C1	C4	108.765
Cl2	C1	C5	108.765	Cl3	C1	C4	108.765
Cl3	C1	C5	108.765	C4	C1	C5	113.273
H6	C4	H8	109.164	H6	C4	H9	109.164
H7	C5	H10	109.164	H7	C5	H11	109.164
H8	C4	H9	109.350	H10	C5	H11	109.350

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

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

States and conformations

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