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-pVDZ

States and conformations

Geometric Data calculated at MP2/cc-pVDZ

Point Group is C_3v

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.351
Cl2	0.000	0.000	1.475
C3	0.000	1.457	-0.810
C4	1.262	-0.728	-0.810
C5	-1.262	-0.728	-0.810
H6	0.000	1.492	-1.914
H7	1.292	-0.746	-1.914
H8	-1.292	-0.746	-1.914
H9	0.895	1.983	-0.441
H10	-0.895	1.983	-0.441
H11	1.270	-1.766	-0.441
H12	2.165	-0.217	-0.441
H13	-2.165	-0.217	-0.441
H14	-1.270	-1.766	-0.441

Atom - Atom Distances (Å)

	C1	Cl2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.8257	1.5276	1.5276	1.5276	2.1613	2.1613	2.1613	2.1777	2.1777	2.1777	2.1777	2.1777	2.1777
Cl2	1.8257		2.7101	2.7101	2.7101	3.7032	3.7032	3.7032	2.8993	2.8993	2.8993	2.8993	2.8993	2.8993
C3	1.5276	2.7101		2.5232	2.5232	1.1046	2.7823	2.7823	1.1017	1.1017	3.4842	2.7613	2.7613	3.4842
C4	1.5276	2.7101	2.5232		2.5232	2.7823	1.1046	2.7823	2.7613	3.4842	1.1017	1.1017	3.4842	2.7613
C5	1.5276	2.7101	2.5232	2.5232		2.7823	2.7823	1.1046	3.4842	2.7613	2.7613	3.4842	1.1017	1.1017
H6	2.1613	3.7032	1.1046	2.7823	2.7823		2.5844	2.5844	1.7921	1.7921	3.7950	3.1270	3.1270	3.7950
H7	2.1613	3.7032	2.7823	1.1046	2.7823	2.5844		2.5844	3.1270	3.7950	1.7921	1.7921	3.7950	3.1270
H8	2.1613	3.7032	2.7823	2.7823	1.1046	2.5844	2.5844		3.7950	3.1270	3.1270	3.7950	1.7921	1.7921
H9	2.1777	2.8993	1.1017	2.7613	3.4842	1.7921	3.1270	3.7950		1.7892	3.7686	2.5408	3.7686	4.3300
H10	2.1777	2.8993	1.1017	3.4842	2.7613	1.7921	3.7950	3.1270	1.7892		4.3300	3.7686	2.5408	3.7686
H11	2.1777	2.8993	3.4842	1.1017	2.7613	3.7950	1.7921	3.1270	3.7686	4.3300		1.7892	3.7686	2.5408
H12	2.1777	2.8993	2.7613	1.1017	3.4842	3.1270	1.7921	3.7950	2.5408	3.7686	1.7892		4.3300	3.7686
H13	2.1777	2.8993	2.7613	3.4842	1.1017	3.1270	3.7950	1.7921	3.7686	2.5408	3.7686	4.3300		1.7892
H14	2.1777	2.8993	3.4842	2.7613	1.1017	3.7950	3.1270	1.7921	4.3300	3.7686	2.5408	3.7686	1.7892

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C3	H6	109.341		C1	C3	H9	110.797
C1	C3	H10	110.797		C1	C4	H7	109.341
C1	C4	H11	110.797		C1	C4	H12	110.798
C1	C5	H8	109.341		C1	C5	H13	110.798
C1	C5	H14	110.797		Cl2	C1	C3	107.510
Cl2	C1	C4	107.510		Cl2	C1	C5	107.510
C3	C1	C4	111.359		C3	C1	C5	111.359
C4	C1	C5	111.359		H6	C3	H9	108.635
H6	C3	H10	108.635		H7	C4	H11	108.635
H7	C4	H12	108.635		H8	C5	H13	108.635
H8	C5	H14	108.635		H9	C3	H10	108.578
H11	C4	H12	108.578		H13	C5	H14	108.578