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	hartrees
Energy at 0K	-618.159467
Energy at 298.15K	-618.169328
HF Energy	-618.159467
Nuclear repulsion energy	240.056357

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3097	2996	34.28
2	A₁	3033	2934	35.38
3	A₁	1516	1466	6.53
4	A₁	1434	1387	1.53
5	A₁	1178	1140	67.12
6	A₁	805	779	12.08
7	A₁	556	538	32.70
8	A₁	367	355	6.64
9	A₂	3113	3012	0.00
10	A₂	1471	1423	0.00
11	A₂	978	946	0.00
12	A₂	234	226	0.00
13	E	3118	3016	25.09
13	E	3118	3016	25.10
14	E	3090	2989	5.46
14	E	3090	2989	5.45
15	E	3024	2926	11.95
15	E	3024	2926	11.94
16	E	1498	1449	7.39
16	E	1498	1449	7.39
17	E	1486	1438	0.07
17	E	1486	1438	0.07
18	E	1406	1361	12.97
18	E	1406	1361	12.97
19	E	1258	1217	6.98
19	E	1258	1217	6.98
20	E	1052	1018	0.00
20	E	1052	1018	0.00
21	E	932	902	0.00
21	E	932	902	0.00
22	E	406	392	0.49
22	E	406	392	0.49
23	E	298	288	0.79
23	E	298	288	0.79
24	E	281	272	0.04
24	E	281	272	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.323
Cl2	0.000	0.000	1.476
C3	0.000	1.416	-0.817
C4	1.227	-0.708	-0.817
C5	-1.227	-0.708	-0.817
H6	0.000	1.416	-1.872
H7	1.227	-0.708	-1.872
H8	-1.227	-0.708	-1.872
H9	0.860	1.928	-0.470
H10	-0.860	1.928	-0.470
H11	1.240	-1.709	-0.470
H12	2.100	-0.220	-0.470
H13	-2.100	-0.220	-0.470
H14	-1.240	-1.709	-0.470

	C1	Cl2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.7992	1.5000	1.5000	1.5000	2.0987	2.0987	2.0987	2.1164	2.1164	2.1164	2.1164	2.1164	2.1164
Cl2	1.7992		2.6953	2.6953	2.6953	3.6351	3.6351	3.6351	2.8710	2.8710	2.8710	2.8710	2.8710	2.8710
C3	1.5000	2.6953		2.4531	2.4531	1.0546	2.6703	2.6703	1.0593	1.0593	3.3801	2.6846	2.6846	3.3801
C4	1.5000	2.6953	2.4531		2.4531	2.6703	1.0546	2.6703	2.6846	3.3801	1.0593	1.0593	3.3801	2.6846
C5	1.5000	2.6953	2.4531	2.4531		2.6703	2.6703	1.0546	3.3801	2.6846	2.6846	3.3801	1.0593	1.0593
H6	2.0987	3.6351	1.0546	2.6703	2.6703		2.4533	2.4533	1.7227	1.7227	3.6430	3.0089	3.0089	3.6430
H7	2.0987	3.6351	2.6703	1.0546	2.6703	2.4533		2.4533	3.0089	3.6430	1.7227	1.7227	3.6430	3.0089
H8	2.0987	3.6351	2.6703	2.6703	1.0546	2.4533	2.4533		3.6430	3.0089	3.0089	3.6430	1.7227	1.7227
H9	2.1164	2.8710	1.0593	2.6846	3.3801	1.7227	3.0089	3.6430		1.7192	3.6570	2.4806	3.6570	4.1998
H10	2.1164	2.8710	1.0593	3.3801	2.6846	1.7227	3.6430	3.0089	1.7192		4.1998	3.6570	2.4806	3.6570
H11	2.1164	2.8710	3.3801	1.0593	2.6846	3.6430	1.7227	3.0089	3.6570	4.1998		1.7192	3.6570	2.4806
H12	2.1164	2.8710	2.6846	1.0593	3.3801	3.0089	1.7227	3.6430	2.4806	3.6570	1.7192		4.1998	3.6570
H13	2.1164	2.8710	2.6846	3.3801	1.0593	3.0089	3.6430	1.7227	3.6570	2.4806	3.6570	4.1998		1.7192
H14	2.1164	2.8710	3.3801	2.6846	1.0593	3.6430	3.0089	1.7227	4.1998	3.6570	2.4806	3.6570	1.7192

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	109.238	C1	C3	H9	110.387
C1	C3	H10	110.387	C1	C4	H7	109.238
C1	C4	H11	110.387	C1	C4	H12	110.387
C1	C5	H8	109.238	C1	C5	H13	110.387
C1	C5	H14	110.387	Cl2	C1	C3	109.231
Cl2	C1	C4	109.231	Cl2	C1	C5	109.231
C3	C1	C4	109.710	C3	C1	C5	109.710
C4	C1	C5	109.710	H6	C3	H9	109.162
H6	C3	H10	109.162	H7	C4	H11	109.162
H7	C4	H12	109.162	H8	C5	H13	109.162
H8	C5	H14	109.162	H9	C3	H10	108.479
H11	C4	H12	108.478	H13	C5	H14	108.478

All results from a given calculation for CH₃CCl(CH₃)CH₃ (Propane, 2-chloro-2-methyl-)

using model chemistry: B3LYP/aug-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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All results from a given calculation for CH3CCl(CH3)CH3 (Propane, 2-chloro-2-methyl-)

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃CCl(CH₃)CH₃ (Propane, 2-chloro-2-methyl-)