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	hartrees
Energy at 0K	-1035.505957
Energy at 298.15K
HF Energy	-1035.505957
Nuclear repulsion energy	297.713812

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3082	3048	2.20
2	A₁	2978	2945	6.25
3	A₁	1405	1390	3.79
4	A₁	1342	1328	17.30
5	A₁	1137	1125	39.73
6	A₁	926	916	5.53
7	A₁	566	560	15.03
8	A₁	355	351	0.81
9	A₁	247	244	1.28
10	A₂	3057	3024	0.00
11	A₂	1390	1375	0.00
12	A₂	970	960	0.00
13	A₂	278	275	0.00
14	A₂	258	255	0.00
15	B₁	3061	3028	7.96
16	B₁	1415	1400	7.67
17	B₁	1083	1071	83.08
18	B₁	642	635	84.01
19	B₁	353	349	3.25
20	B₁	293	290	0.00
21	B₂	3081	3047	0.97
22	B₂	2975	2942	1.39
23	B₂	1387	1372	3.01
24	B₂	1332	1317	40.61
25	B₂	1209	1195	4.24
26	B₂	915	905	0.14
27	B₂	379	375	2.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.341
Cl2	1.451	0.000	-0.709
Cl3	-1.451	0.000	-0.709
C4	0.000	1.252	1.156
C5	0.000	-1.252	1.156
H6	0.000	2.138	0.510
H7	0.000	-2.138	0.510
H8	-0.896	1.274	1.793
H9	0.896	1.274	1.793
H10	0.896	-1.274	1.793
H11	-0.896	-1.274	1.793

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.7912	1.7912	1.4942	1.4942	2.1445	2.1445	2.1301	2.1301	2.1301	2.1301
Cl2	1.7912		2.9026	2.6747	2.6747	2.8570	2.8570	3.6601	2.8629	2.8629	3.6601
Cl3	1.7912	2.9026		2.6747	2.6747	2.8570	2.8570	2.8629	3.6601	3.6601	2.8629
C4	1.4942	2.6747	2.6747		2.5037	1.0967	3.4507	1.0995	1.0995	2.7551	2.7551
C5	1.4942	2.6747	2.6747	2.5037		3.4507	1.0967	2.7551	2.7551	1.0995	1.0995
H6	2.1445	2.8570	2.8570	1.0967	3.4507		4.2756	1.7876	1.7876	3.7541	3.7541
H7	2.1445	2.8570	2.8570	3.4507	1.0967	4.2756		3.7541	3.7541	1.7876	1.7876
H8	2.1301	3.6601	2.8629	1.0995	2.7551	1.7876	3.7541		1.7917	3.1156	2.5488
H9	2.1301	2.8629	3.6601	1.0995	2.7551	1.7876	3.7541	1.7917		2.5488	3.1156
H10	2.1301	2.8629	3.6601	2.7551	1.0995	3.7541	1.7876	3.1156	2.5488		1.7917
H11	2.1301	3.6601	2.8629	2.7551	1.0995	3.7541	1.7876	2.5488	3.1156	1.7917

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.793	C1	C4	H8	109.483
C1	C4	H9	109.483	C1	C5	H7	110.793
C1	C5	H10	109.483	C1	C5	H11	109.483
Cl2	C1	Cl3	108.236	Cl2	C1	C4	108.662
Cl2	C1	C5	108.662	Cl3	C1	C4	108.662
Cl3	C1	C5	108.662	C4	C1	C5	113.822
H6	C4	H8	108.962	H6	C4	H9	108.962
H7	C5	H10	108.962	H7	C5	H11	108.962
H8	C4	H9	109.131	H10	C5	H11	109.131

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

using model chemistry: LSDA/cc-pVTZ

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	-0.077
2	Cl	-0.074
3	Cl	-0.074
4	C	-0.295
5	C	-0.295
6	H	0.147
7	H	0.147
8	H	0.131
9	H	0.131
10	H	0.131
11	H	0.131

<r²>	184.513
(<r²>)^1/2	13.584

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

using model chemistry: LSDA/cc-pVTZ

States and conformations

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