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	hartrees
Energy at 0K	-1036.875013
Energy at 298.15K
HF Energy	-1036.115871
Nuclear repulsion energy	293.771914

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3211	3043	7.79
2	A₁	3102	2940	11.82
3	A₁	1493	1415	2.61
4	A₁	1431	1357	4.09
5	A₁	1203	1140	33.98
6	A₁	960	910	7.30
7	A₁	581	551	14.03
8	A₁	369	350	0.40
9	A₁	263	249	1.13
10	A₂	3188	3022	0.00
11	A₂	1481	1404	0.00
12	A₂	1029	976	0.00
13	A₂	290	275	0.00
14	A₂	280	265	0.00
15	B₁	3193	3027	19.77
16	B₁	1502	1424	5.20
17	B₁	1157	1097	73.99
18	B₁	709	672	75.00
19	B₁	369	350	1.78
20	B₁	315	299	0.00
21	B₂	3209	3042	4.53
22	B₂	3099	2937	5.33
23	B₂	1480	1403	3.11
24	B₂	1417	1344	11.08
25	B₂	1247	1182	6.34
26	B₂	964	914	0.01
27	B₂	397	377	3.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.338
Cl2	1.470	0.000	-0.719
Cl3	-1.470	0.000	-0.719
C4	0.000	1.275	1.177
C5	0.000	-1.275	1.177
H6	0.000	2.163	0.529
H7	0.000	-2.163	0.529
H8	-0.899	1.293	1.814
H9	0.899	1.293	1.814
H10	0.899	-1.293	1.814
H11	-0.899	-1.293	1.814

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8107	1.8107	1.5256	1.5256	2.1716	2.1716	2.1586	2.1586	2.1586	2.1586
Cl2	1.8107		2.9394	2.7165	2.7165	2.8977	2.8977	3.7017	2.9014	2.9014	3.7017
Cl3	1.8107	2.9394		2.7165	2.7165	2.8977	2.8977	2.9014	3.7017	3.7017	2.9014
C4	1.5256	2.7165	2.7165		2.5493	1.0998	3.4984	1.1022	1.1022	2.7945	2.7945
C5	1.5256	2.7165	2.7165	2.5493		3.4984	1.0998	2.7945	2.7945	1.1022	1.1022
H6	2.1716	2.8977	2.8977	1.0998	3.4984		4.3264	1.7937	1.7937	3.7959	3.7959
H7	2.1716	2.8977	2.8977	3.4984	1.0998	4.3264		3.7959	3.7959	1.7937	1.7937
H8	2.1586	3.7017	2.9014	1.1022	2.7945	1.7937	3.7959		1.7976	3.1501	2.5868
H9	2.1586	2.9014	3.7017	1.1022	2.7945	1.7937	3.7959	1.7976		2.5868	3.1501
H10	2.1586	2.9014	3.7017	2.7945	1.1022	3.7959	1.7937	3.1501	2.5868		1.7976
H11	2.1586	3.7017	2.9014	2.7945	1.1022	3.7959	1.7937	2.5868	3.1501	1.7976

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.563	C1	C4	H8	109.400
C1	C4	H9	109.400	C1	C5	H7	110.563
C1	C5	H10	109.400	C1	C5	H11	109.400
Cl2	C1	Cl3	108.523	Cl2	C1	C4	108.721
Cl2	C1	C5	108.721	Cl3	C1	C4	108.721
Cl3	C1	C5	108.721	C4	C1	C5	113.331
H6	C4	H8	109.096	H6	C4	H9	109.096
H7	C5	H10	109.096	H7	C5	H11	109.096
H8	C4	H9	109.265	H10	C5	H11	109.265

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

using model chemistry: MP3/cc-pVDZ

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: MP3/cc-pVDZ

States and conformations

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