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	hartrees
Energy at 0K	-617.201310
Energy at 298.15K	-617.211266
HF Energy	-616.298944
Nuclear repulsion energy	242.306650

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3163	3004	33.20
2	A₁	3073	2917	18.40
3	A₁	1527	1450	6.58
4	A₁	1425	1353	2.59
5	A₁	1194	1134	53.99
6	A₁	850	807	9.31
7	A₁	609	578	19.26
8	A₁	370	352	1.81
9	A₂	3175	3015	0.00
10	A₂	1483	1408	0.00
11	A₂	972	923	0.00
12	A₂	233	221	0.00
13	E	3179	3018	18.40
13	E	3179	3018	18.40
14	E	3158	2998	2.99
14	E	3158	2998	2.99
15	E	3068	2913	12.48
15	E	3068	2913	12.48
16	E	1510	1434	6.98
16	E	1510	1434	6.98
17	E	1496	1420	0.13
17	E	1496	1420	0.13
18	E	1401	1330	14.41
18	E	1401	1330	14.41
19	E	1274	1210	4.42
19	E	1274	1210	4.42
20	E	1058	1004	0.03
20	E	1058	1004	0.03
21	E	947	899	0.08
21	E	947	899	0.08
22	E	402	382	0.61
22	E	402	382	0.61
23	E	302	286	0.52
23	E	302	286	0.52
24	E	295	280	0.12
24	E	295	280	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.319
Cl2	0.000	0.000	1.467
C3	0.000	1.414	-0.813
C4	1.225	-0.707	-0.813
C5	-1.225	-0.707	-0.813
H6	0.000	1.411	-1.870
H7	1.222	-0.706	-1.870
H8	-1.222	-0.706	-1.870
H9	0.862	1.926	-0.464
H10	-0.862	1.926	-0.464
H11	1.237	-1.709	-0.464
H12	2.099	-0.217	-0.464
H13	-2.099	-0.217	-0.464
H14	-1.237	-1.709	-0.464

	C1	Cl2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.7863	1.4980	1.4980	1.4980	2.0964	2.0964	2.0964	2.1148	2.1148	2.1148	2.1148	2.1148	2.1148
Cl2	1.7863		2.6828	2.6828	2.6828	3.6226	3.6226	3.6226	2.8597	2.8597	2.8597	2.8597	2.8597	2.8597
C3	1.4980	2.6828		2.4499	2.4499	1.0568	2.6657	2.6657	1.0611	1.0611	3.3777	2.6809	2.6809	3.3777
C4	1.4980	2.6828	2.4499		2.4499	2.6657	1.0568	2.6657	2.6809	3.3777	1.0611	1.0611	3.3777	2.6809
C5	1.4980	2.6828	2.4499	2.4499		2.6657	2.6657	1.0568	3.3777	2.6809	2.6809	3.3777	1.0611	1.0611
H6	2.0964	3.6226	1.0568	2.6657	2.6657		2.4446	2.4446	1.7274	1.7274	3.6394	3.0054	3.0054	3.6394
H7	2.0964	3.6226	2.6657	1.0568	2.6657	2.4446		2.4446	3.0054	3.6394	1.7274	1.7274	3.6394	3.0054
H8	2.0964	3.6226	2.6657	2.6657	1.0568	2.4446	2.4446		3.6394	3.0054	3.0054	3.6394	1.7274	1.7274
H9	2.1148	2.8597	1.0611	2.6809	3.3777	1.7274	3.0054	3.6394		1.7232	3.6544	2.4742	3.6544	4.1974
H10	2.1148	2.8597	1.0611	3.3777	2.6809	1.7274	3.6394	3.0054	1.7232		4.1974	3.6544	2.4742	3.6544
H11	2.1148	2.8597	3.3777	1.0611	2.6809	3.6394	1.7274	3.0054	3.6544	4.1974		1.7232	3.6544	2.4742
H12	2.1148	2.8597	2.6809	1.0611	3.3777	3.0054	1.7274	3.6394	2.4742	3.6544	1.7232		4.1974	3.6544
H13	2.1148	2.8597	2.6809	3.3777	1.0611	3.0054	3.6394	1.7274	3.6544	2.4742	3.6544	4.1974		1.7232
H14	2.1148	2.8597	3.3777	2.6809	1.0611	3.6394	3.0054	1.7274	4.1974	3.6544	2.4742	3.6544	1.7232

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	109.062	C1	C3	H9	110.289
C1	C3	H10	110.289	C1	C4	H7	109.062
C1	C4	H11	110.289	C1	C4	H12	110.289
C1	C5	H8	109.062	C1	C5	H13	110.289
C1	C5	H14	110.289	Cl2	C1	C3	109.226
Cl2	C1	C4	109.226	Cl2	C1	C5	109.226
C3	C1	C4	109.715	C3	C1	C5	109.715
C4	C1	C5	109.715	H6	C3	H9	109.299
H6	C3	H10	109.299	H7	C4	H11	109.299
H7	C4	H12	109.299	H8	C5	H13	109.299
H8	C5	H14	109.299	H9	C3	H10	108.584
H11	C4	H12	108.584	H13	C5	H14	108.584

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

using model chemistry: MP2/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: MP2/cc-pVTZ

States and conformations

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