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	hartrees
Energy at 0K	-1037.963021
Energy at 298.15K
HF Energy	-1037.719089
Nuclear repulsion energy	294.327280

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	3168	3168	8.15	72.84	0.74	0.85
2	A₁	3071	3071	11.70	248.25	0.01	0.01
3	A₁	1504	1504	2.87	13.38	0.73	0.85
4	A₁	1442	1442	4.90	0.35	0.71	0.83
5	A₁	1196	1196	38.09	1.95	0.35	0.51
6	A₁	937	937	9.38	6.33	0.75	0.86
7	A₁	566	566	16.62	13.42	0.04	0.08
8	A₁	369	369	1.10	2.82	0.47	0.64
9	A₁	262	262	0.70	4.78	0.62	0.77
10	A₂	3144	3144	0.00	13.47	0.75	0.86
11	A₂	1491	1491	0.00	16.53	0.75	0.86
12	A₂	1038	1038	0.00	1.37	0.75	0.86
13	A₂	290	290	0.00	1.62	0.75	0.86
14	A₂	279	279	0.00	0.07	0.75	0.86
15	B₁	3150	3150	20.78	134.21	0.75	0.86
16	B₁	1511	1511	5.56	0.03	0.75	0.86
17	B₁	1151	1151	88.58	3.85	0.75	0.86
18	B₁	661	661	107.00	14.62	0.75	0.86
19	B₁	367	367	3.64	2.12	0.75	0.86
20	B₁	317	317	0.01	0.01	0.75	0.86
21	B₂	3167	3167	5.04	40.03	0.75	0.86
22	B₂	3067	3067	3.94	1.32	0.75	0.86
23	B₂	1488	1488	3.81	0.00	0.75	0.86
24	B₂	1423	1423	13.67	1.51	0.75	0.86
25	B₂	1228	1228	7.05	0.53	0.75	0.86
26	B₂	965	965	0.02	1.43	0.75	0.86
27	B₂	393	393	2.88	0.94	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.344
Cl2	1.470	0.000	-0.718
Cl3	-1.470	0.000	-0.718
C4	0.000	1.271	1.173
C5	0.000	-1.271	1.173
H6	0.000	2.151	0.533
H7	0.000	-2.151	0.533
H8	-0.890	1.291	1.805
H9	0.890	1.291	1.805
H10	0.890	-1.291	1.805
H11	-0.890	-1.291	1.805

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8136	1.8136	1.5177	1.5177	2.1595	2.1595	2.1435	2.1435	2.1435	2.1435
Cl2	1.8136		2.9403	2.7120	2.7120	2.8903	2.8903	3.6883	2.8934	2.8934	3.6883
Cl3	1.8136	2.9403		2.7120	2.7120	2.8903	2.8903	2.8934	3.6883	3.6883	2.8934
C4	1.5177	2.7120	2.7120		2.5417	1.0887	3.4815	1.0913	1.0913	2.7849	2.7849
C5	1.5177	2.7120	2.7120	2.5417		3.4815	1.0887	2.7849	2.7849	1.0913	1.0913
H6	2.1595	2.8903	2.8903	1.0887	3.4815		4.3023	1.7747	1.7747	3.7764	3.7764
H7	2.1595	2.8903	2.8903	3.4815	1.0887	4.3023		3.7764	3.7764	1.7747	1.7747
H8	2.1435	3.6883	2.8934	1.0913	2.7849	1.7747	3.7764		1.7795	3.1364	2.5827
H9	2.1435	2.8934	3.6883	1.0913	2.7849	1.7747	3.7764	1.7795		2.5827	3.1364
H10	2.1435	2.8934	3.6883	2.7849	1.0913	3.7764	1.7747	3.1364	2.5827		1.7795
H11	2.1435	3.6883	2.8934	2.7849	1.0913	3.7764	1.7747	2.5827	3.1364	1.7795

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.820	C1	C4	H8	109.397
C1	C4	H9	109.397	C1	C5	H7	110.820
C1	C5	H10	109.397	C1	C5	H11	109.397
Cl2	C1	Cl3	108.312	Cl2	C1	C4	108.669
Cl2	C1	C5	108.669	Cl3	C1	C4	108.669
Cl3	C1	C5	108.669	C4	C1	C5	113.728
H6	C4	H8	108.988	H6	C4	H9	108.988
H7	C5	H10	108.988	H7	C5	H11	108.988
H8	C4	H9	109.226	H10	C5	H11	109.226

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

using model chemistry: B2PLYP/6-311G**

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	-0.366
2	Cl	-0.030
3	Cl	-0.030
4	C	-0.199
5	C	-0.199
6	H	0.151
7	H	0.151
8	H	0.131
9	H	0.131
10	H	0.131
11	H	0.131

<r²>	188.887
(<r²>)^1/2	13.744

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

using model chemistry: B2PLYP/6-311G**

States and conformations

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