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	hartrees
Energy at 0K	-1036.339367
Energy at 298.15K
HF Energy	-1035.965713
Nuclear repulsion energy	284.427930

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	3162	3052	13.81	60.30	0.74	0.85
2	A₁	3036	2930	19.92	266.63	0.00	0.01
3	A₁	1526	1473	4.55	18.23	0.75	0.86
4	A₁	1472	1421	4.51	0.52	0.72	0.84
5	A₁	1222	1180	46.76	2.43	0.20	0.34
6	A₁	923	891	7.09	11.16	0.75	0.85
7	A₁	520	502	13.24	20.47	0.05	0.09
8	A₁	352	340	1.35	4.47	0.36	0.53
9	A₁	240	232	1.16	6.50	0.69	0.82
10	A₂	3137	3029	0.00	9.35	0.75	0.86
11	A₂	1519	1466	0.00	22.19	0.75	0.86
12	A₂	1062	1025	0.00	6.80	0.75	0.86
13	A₂	279	269	0.00	2.46	0.75	0.86
14	A₂	264	255	0.00	0.00	0.75	0.86
15	B₁	3143	3034	31.41	112.38	0.75	0.86
16	B₁	1535	1482	15.71	0.03	0.75	0.86
17	B₁	1183	1142	78.40	1.66	0.75	0.86
18	B₁	633	611	62.23	17.93	0.75	0.86
19	B₁	354	342	2.37	4.30	0.75	0.86
20	B₁	303	292	0.04	0.01	0.75	0.86
21	B₂	3159	3049	11.78	35.63	0.75	0.86
22	B₂	3033	2928	8.83	0.13	0.75	0.86
23	B₂	1513	1460	6.74	0.00	0.75	0.86
24	B₂	1454	1403	15.64	1.57	0.75	0.86
25	B₂	1243	1200	15.21	0.03	0.75	0.86
26	B₂	981	946	0.01	1.54	0.75	0.86
27	B₂	373	360	3.73	3.23	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.384
Cl2	1.537	0.000	-0.744
Cl3	-1.537	0.000	-0.744
C4	0.000	1.303	1.209
C5	0.000	-1.303	1.209
H6	0.000	2.183	0.548
H7	0.000	-2.183	0.548
H8	-0.901	1.332	1.847
H9	0.901	1.332	1.847
H10	0.901	-1.332	1.847
H11	-0.901	-1.332	1.847

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.9062	1.9062	1.5422	1.5422	2.1895	2.1895	2.1744	2.1744	2.1744	2.1744
Cl2	1.9062		3.0738	2.8060	2.8060	2.9661	2.9661	3.7987	2.9822	2.9822	3.7987
Cl3	1.9062	3.0738		2.8060	2.8060	2.9661	2.9661	2.9822	3.7987	3.7987	2.9822
C4	1.5422	2.8060	2.8060		2.6053	1.1012	3.5481	1.1040	1.1040	2.8569	2.8569
C5	1.5422	2.8060	2.8060	2.6053		3.5481	1.1012	2.8569	2.8569	1.1040	1.1040
H6	2.1895	2.9661	2.9661	1.1012	3.5481		4.3666	1.7951	1.7951	3.8547	3.8547
H7	2.1895	2.9661	2.9661	3.5481	1.1012	4.3666		3.8547	3.8547	1.7951	1.7951
H8	2.1744	3.7987	2.9822	1.1040	2.8569	1.7951	3.8547		1.8011	3.2165	2.6649
H9	2.1744	2.9822	3.7987	1.1040	2.8569	1.7951	3.8547	1.8011		2.6649	3.2165
H10	2.1744	2.9822	3.7987	2.8569	1.1040	3.8547	1.7951	3.2165	2.6649		1.8011
H11	2.1744	3.7987	2.9822	2.8569	1.1040	3.8547	1.7951	2.6649	3.2165	1.8011

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.736	C1	C4	H8	109.396
C1	C4	H9	109.396	C1	C5	H7	110.736
C1	C5	H10	109.396	C1	C5	H11	109.396
Cl2	C1	Cl3	107.470	Cl2	C1	C4	108.460
Cl2	C1	C5	108.460	Cl3	C1	C4	108.460
Cl3	C1	C5	108.460	C4	C1	C5	115.270
H6	C4	H8	108.986	H6	C4	H9	108.986
H7	C5	H10	108.986	H7	C5	H11	108.986
H8	C4	H9	109.319	H10	C5	H11	109.319

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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