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	hartrees
Energy at 0K	-616.803817
Energy at 298.15K	-616.813996
HF Energy	-616.205626
Nuclear repulsion energy	241.933493

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3248	3000	42.79
2	A	3171	2929	21.47
3	A	1610	1487	7.75
4	A	1532	1415	3.53
5	A	1271	1174	68.08
6	A	880	813	13.69
7	A	628	580	30.30
8	A	394	364	3.04
9	A	3260	3011	0.00
10	A	1567	1448	0.00
11	A	1033	954	0.00
12	A	255	236	0.00
13	A	3264	3015	26.00
13	A	3264	3015	26.00
14	A	3241	2993	4.32
14	A	3241	2993	4.32
15	A	3162	2921	12.95
15	A	3162	2921	12.95
16	A	1593	1471	6.29
16	A	1593	1471	6.29
17	A	1580	1460	0.58
17	A	1580	1460	0.58
18	A	1507	1392	13.19
18	A	1507	1392	13.19
19	A	1350	1247	4.81
19	A	1350	1247	4.81
20	A	1118	1033	0.01
20	A	1118	1033	0.01
21	A	999	923	0.44
21	A	999	923	0.44
22	A	429	396	0.60
22	A	429	396	0.60
23	A	319	295	0.74
23	A	319	295	0.74
24	A	309	285	0.08
24	A	309	285	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.348
Cl2	0.000	0.000	1.469
C3	0.000	1.450	-0.807
C4	1.255	-0.725	-0.807
C5	-1.255	-0.725	-0.807
H6	0.000	1.484	-1.897
H7	1.285	-0.742	-1.897
H8	-1.285	-0.742	-1.897
H9	0.883	1.972	-0.445
H10	-0.883	1.972	-0.445
H11	1.267	-1.751	-0.445
H12	2.149	-0.222	-0.445
H13	-2.149	-0.222	-0.445
H14	-1.267	-1.751	-0.445

	C1	Cl2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.8178	1.5204	1.5204	1.5204	2.1448	2.1448	2.1448	2.1628	2.1628	2.1628	2.1628	2.1628	2.1628
Cl2	1.8178		2.6988	2.6988	2.6988	3.6789	3.6789	3.6789	2.8870	2.8870	2.8870	2.8870	2.8870	2.8870
C3	1.5204	2.6988		2.5107	2.5107	1.0905	2.7646	2.7646	1.0876	1.0876	3.4606	2.7465	2.7465	3.4606
C4	1.5204	2.6988	2.5107		2.5107	2.7646	1.0905	2.7646	2.7465	3.4606	1.0876	1.0876	3.4606	2.7465
C5	1.5204	2.6988	2.5107	2.5107		2.7646	2.7646	1.0905	3.4606	2.7465	2.7465	3.4606	1.0876	1.0876
H6	2.1448	3.6789	1.0905	2.7646	2.7646		2.5704	2.5704	1.7676	1.7676	3.7647	3.1041	3.1041	3.7647
H7	2.1448	3.6789	2.7646	1.0905	2.7646	2.5704		2.5704	3.1041	3.7647	1.7676	1.7676	3.7647	3.1041
H8	2.1448	3.6789	2.7646	2.7646	1.0905	2.5704	2.5704		3.7647	3.1041	3.1041	3.7647	1.7676	1.7676
H9	2.1628	2.8870	1.0876	2.7465	3.4606	1.7676	3.1041	3.7647		1.7654	3.7424	2.5331	3.7424	4.2985
H10	2.1628	2.8870	1.0876	3.4606	2.7465	1.7676	3.7647	3.1041	1.7654		4.2985	3.7424	2.5331	3.7424
H11	2.1628	2.8870	3.4606	1.0876	2.7465	3.7647	1.7676	3.1041	3.7424	4.2985		1.7654	3.7424	2.5331
H12	2.1628	2.8870	2.7465	1.0876	3.4606	3.1041	1.7676	3.7647	2.5331	3.7424	1.7654		4.2985	3.7424
H13	2.1628	2.8870	2.7465	3.4606	1.0876	3.1041	3.7647	1.7676	3.7424	2.5331	3.7424	4.2985		1.7654
H14	2.1628	2.8870	3.4606	2.7465	1.0876	3.7647	3.1041	1.7676	4.2985	3.7424	2.5331	3.7424	1.7654

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	109.366	C1	C3	H9	110.965
C1	C3	H10	110.965	C1	C4	H7	109.366
C1	C4	H11	110.965	C1	C4	H12	110.965
C1	C5	H8	109.366	C1	C5	H13	110.965
C1	C5	H14	110.965	Cl2	C1	C3	107.554
Cl2	C1	C4	107.554	Cl2	C1	C5	107.554
C3	C1	C4	111.318	C3	C1	C5	111.318
C4	C1	C5	111.318	H6	C3	H9	108.488
H6	C3	H10	108.488	H7	C4	H11	108.488
H7	C4	H12	108.488	H8	C5	H13	108.488
H8	C5	H14	108.488	H9	C3	H10	108.499
H11	C4	H12	108.499	H13	C5	H14	108.499

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

using model chemistry: CID/6-31G*

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: CID/6-31G*

States and conformations

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