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	hartrees
Energy at 0K	-616.896760
Energy at 298.15K	-616.906865
HF Energy	-616.205175
Nuclear repulsion energy	241.940404

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3199	3015	34.57
2	A₁	3109	2929	15.22
3	A₁	1577	1486	9.13
4	A₁	1487	1402	3.83
5	A₁	1242	1170	59.12
6	A₁	866	816	10.02
7	A₁	622	586	21.27
8	A₁	387	365	2.46
9	A₂	3211	3025	0.00
10	A₂	1533	1444	0.00
11	A₂	1007	948	0.00
12	A₂	257	242	0.00
13	E	3214	3028	19.60
13	E	3214	3028	19.60
14	E	3194	3009	3.05
14	E	3194	3009	3.05
15	E	3104	2924	10.80
15	E	3104	2924	10.80
16	E	1559	1469	7.02
16	E	1559	1469	7.02
17	E	1547	1457	0.50
17	E	1547	1457	0.50
18	E	1461	1376	14.87
18	E	1461	1376	14.87
19	E	1316	1240	5.22
19	E	1316	1240	5.22
20	E	1091	1028	0.02
20	E	1091	1028	0.02
21	E	976	920	0.47
21	E	976	920	0.47
22	E	420	396	0.49
22	E	420	396	0.49
23	E	316	297	0.53
23	E	316	297	0.53
24	E	307	290	0.25
24	E	307	290	0.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.319
Cl2	0.000	0.000	1.466
C3	0.000	1.413	-0.813
C4	1.224	-0.707	-0.813
C5	-1.224	-0.707	-0.813
H6	0.000	1.411	-1.869
H7	1.222	-0.706	-1.869
H8	-1.222	-0.706	-1.869
H9	0.862	1.925	-0.463
H10	-0.862	1.925	-0.463
H11	1.237	-1.709	-0.463
H12	2.098	-0.216	-0.463
H13	-2.098	-0.216	-0.463
H14	-1.237	-1.709	-0.463

	C1	Cl2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.7854	1.4970	1.4970	1.4970	2.0967	2.0967	2.0967	2.1145	2.1145	2.1145	2.1145	2.1145	2.1145
Cl2	1.7854		2.6817	2.6817	2.6817	3.6222	3.6222	3.6222	2.8592	2.8592	2.8592	2.8592	2.8592	2.8592
C3	1.4970	2.6817		2.4478	2.4478	1.0568	2.6646	2.6646	1.0616	1.0616	3.3764	2.6797	2.6797	3.3764
C4	1.4970	2.6817	2.4478		2.4478	2.6646	1.0568	2.6646	2.6797	3.3764	1.0616	1.0616	3.3764	2.6797
C5	1.4970	2.6817	2.4478	2.4478		2.6646	2.6646	1.0568	3.3764	2.6797	2.6797	3.3764	1.0616	1.0616
H6	2.0967	3.6222	1.0568	2.6646	2.6646		2.4444	2.4444	1.7274	1.7274	3.6390	3.0049	3.0049	3.6390
H7	2.0967	3.6222	2.6646	1.0568	2.6646	2.4444		2.4444	3.0049	3.6390	1.7274	1.7274	3.6390	3.0049
H8	2.0967	3.6222	2.6646	2.6646	1.0568	2.4444	2.4444		3.6390	3.0049	3.0049	3.6390	1.7274	1.7274
H9	2.1145	2.8592	1.0616	2.6797	3.3764	1.7274	3.0049	3.6390		1.7236	3.6538	2.4732	3.6538	4.1968
H10	2.1145	2.8592	1.0616	3.3764	2.6797	1.7274	3.6390	3.0049	1.7236		4.1968	3.6538	2.4732	3.6538
H11	2.1145	2.8592	3.3764	1.0616	2.6797	3.6390	1.7274	3.0049	3.6538	4.1968		1.7236	3.6538	2.4732
H12	2.1145	2.8592	2.6797	1.0616	3.3764	3.0049	1.7274	3.6390	2.4732	3.6538	1.7236		4.1968	3.6538
H13	2.1145	2.8592	2.6797	3.3764	1.0616	3.0049	3.6390	1.7274	3.6538	2.4732	3.6538	4.1968		1.7236
H14	2.1145	2.8592	3.3764	2.6797	1.0616	3.6390	3.0049	1.7274	4.1968	3.6538	2.4732	3.6538	1.7236

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	109.152	C1	C3	H9	110.304
C1	C3	H10	110.304	C1	C4	H7	109.152
C1	C4	H11	110.304	C1	C4	H12	110.304
C1	C5	H8	109.152	C1	C5	H13	110.304
C1	C5	H14	110.304	Cl2	C1	C3	109.260
Cl2	C1	C4	109.260	Cl2	C1	C5	109.260
C3	C1	C4	109.682	C3	C1	C5	109.682
C4	C1	C5	109.682	H6	C3	H9	109.259
H6	C3	H10	109.259	H7	C4	H11	109.259
H7	C4	H12	109.259	H8	C5	H13	109.259
H8	C5	H14	109.259	H9	C3	H10	108.540
H11	C4	H12	108.540	H13	C5	H14	108.540

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G*

States and conformations

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