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	hartrees
Energy at 0K	-1033.529815
Energy at 298.15K
HF Energy	-1033.529815
Nuclear repulsion energy	291.755322

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	3155	3047	5.63	73.05	0.73	0.84
2	A₁	3061	2956	9.32	206.58	0.01	0.02
3	A₁	1551	1498	3.51	31.22	0.75	0.86
4	A₁	1472	1421	7.55	3.99	0.34	0.51
5	A₁	1210	1169	38.59	1.14	0.05	0.09
6	A₁	899	868	12.44	7.46	0.74	0.85
7	A₁	536	517	20.24	16.55	0.04	0.07
8	A₁	355	343	1.18	2.78	0.34	0.51
9	A₁	247	239	1.23	5.09	0.64	0.78
10	A₂	3128	3021	0.00	11.61	0.75	0.86
11	A₂	1541	1488	0.00	32.66	0.75	0.86
12	A₂	1065	1028	0.00	3.20	0.75	0.86
13	A₂	282	273	0.00	1.37	0.75	0.86
14	A₂	272	263	0.00	0.31	0.75	0.86
15	B₁	3134	3026	16.54	129.34	0.75	0.86
16	B₁	1563	1509	9.63	0.08	0.75	0.86
17	B₁	1172	1132	93.65	0.63	0.75	0.86
18	B₁	607	586	118.08	13.46	0.75	0.86
19	B₁	352	340	3.20	1.90	0.75	0.86
20	B₁	300	290	0.00	0.00	0.75	0.86
21	B₂	3154	3045	5.19	37.02	0.75	0.86
22	B₂	3057	2952	2.94	1.74	0.75	0.86
23	B₂	1536	1483	7.19	0.03	0.75	0.86
24	B₂	1456	1406	19.62	7.29	0.75	0.86
25	B₂	1203	1162	11.21	0.15	0.75	0.86
26	B₂	969	935	0.01	1.48	0.75	0.86
27	B₂	377	364	3.42	1.85	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.348
Cl2	1.486	0.000	-0.725
Cl3	-1.486	0.000	-0.725
C4	0.000	1.280	1.185
C5	0.000	-1.280	1.185
H6	0.000	2.160	0.536
H7	0.000	-2.160	0.536
H8	-0.896	1.294	1.817
H9	0.896	1.294	1.817
H10	0.896	-1.294	1.817
H11	-0.896	-1.294	1.817

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8333	1.8333	1.5289	1.5289	2.1678	2.1678	2.1521	2.1521	2.1521	2.1521
Cl2	1.8333		2.9723	2.7376	2.7376	2.9091	2.9091	3.7157	2.9125	2.9125	3.7157
Cl3	1.8333	2.9723		2.7376	2.7376	2.9091	2.9091	2.9125	3.7157	3.7157	2.9125
C4	1.5289	2.7376	2.7376		2.5597	1.0933	3.5002	1.0961	1.0961	2.7973	2.7973
C5	1.5289	2.7376	2.7376	2.5597		3.5002	1.0933	2.7973	2.7973	1.0961	1.0961
H6	2.1678	2.9091	2.9091	1.0933	3.5002		4.3194	1.7867	1.7867	3.7906	3.7906
H7	2.1678	2.9091	2.9091	3.5002	1.0933	4.3194		3.7906	3.7906	1.7867	1.7867
H8	2.1521	3.7157	2.9125	1.0961	2.7973	1.7867	3.7906		1.7912	3.1470	2.5875
H9	2.1521	2.9125	3.7157	1.0961	2.7973	1.7867	3.7906	1.7912		2.5875	3.1470
H10	2.1521	2.9125	3.7157	2.7973	1.0961	3.7906	1.7867	3.1470	2.5875		1.7912
H11	2.1521	3.7157	2.9125	2.7973	1.0961	3.7906	1.7867	2.5875	3.1470	1.7912

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.419	C1	C4	H8	109.023
C1	C4	H9	109.023	C1	C5	H7	110.419
C1	C5	H10	109.023	C1	C5	H11	109.023
Cl2	C1	Cl3	108.319	Cl2	C1	C4	108.682
Cl2	C1	C5	108.682	Cl3	C1	C4	108.682
Cl3	C1	C5	108.682	C4	C1	C5	113.670
H6	C4	H8	109.388	H6	C4	H9	109.388
H7	C5	H10	109.388	H7	C5	H11	109.388
H8	C4	H9	109.583	H10	C5	H11	109.583

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

using model chemistry: TPSSh/3-21G*

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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Number	Element	Mulliken
1	C	-0.343
2	Cl	0.004
3	Cl	0.004
4	C	-0.550
5	C	-0.550
6	H	0.249
7	H	0.249
8	H	0.234
9	H	0.234
10	H	0.234
11	H	0.234

<r²>	191.193
(<r²>)^1/2	13.827

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

using model chemistry: TPSSh/3-21G*

States and conformations

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