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	hartrees
Energy at 0K	-156.962071
Energy at 298.15K
HF Energy	-156.168876
Nuclear repulsion energy	120.348643

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.111
C2	0.000	0.000	1.441
H3	0.000	0.919	2.004
H4	0.000	-0.919	2.004
C5	0.000	1.281	-0.671
C6	0.000	-1.281	-0.671
H7	0.000	2.138	-0.007
H8	0.875	1.337	-1.315
H9	-0.875	1.337	-1.315
H10	0.000	-2.138	-0.007
H11	-0.875	-1.337	-1.315
H12	0.875	-1.337	-1.315

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3297	2.1036	2.1036	1.5009	1.5009	2.1411	2.1422	2.1422	2.1411	2.1422	2.1422
C2	1.3297		1.0774	1.0774	2.4701	2.4701	2.5820	3.1859	3.1859	2.5820	3.1859	3.1859
H3	2.1036	1.0774		1.8376	2.6991	3.4630	2.3512	3.4575	3.4575	3.6585	4.1072	4.1072
H4	2.1036	1.0774	1.8376		3.4630	2.6991	3.6585	4.1072	4.1072	2.3512	3.4575	3.4575
C5	1.5009	2.4701	2.6991	3.4630		2.5618	1.0842	1.0882	1.0882	3.4826	2.8348	2.8348
C6	1.5009	2.4701	3.4630	2.6991	2.5618		3.4826	2.8348	2.8348	1.0842	1.0882	1.0882
H7	2.1411	2.5820	2.3512	3.6585	1.0842	3.4826		1.7657	1.7657	4.2756	3.8150	3.8150
H8	2.1422	3.1859	3.4575	4.1072	1.0882	2.8348	1.7657		1.7509	3.8150	3.1969	2.6748
H9	2.1422	3.1859	3.4575	4.1072	1.0882	2.8348	1.7657	1.7509		3.8150	2.6748	3.1969
H10	2.1411	2.5820	3.6585	2.3512	3.4826	1.0842	4.2756	3.8150	3.8150		1.7657	1.7657
H11	2.1422	3.1859	4.1072	3.4575	2.8348	1.0882	3.8150	3.1969	2.6748	1.7657		1.7509
H12	2.1422	3.1859	4.1072	3.4575	2.8348	1.0882	3.8150	2.6748	3.1969	1.7657	1.7509

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.482	C1	C2	H4	121.482
C1	C5	H7	110.806	C1	C5	H8	110.654
C1	C5	H9	110.654	C1	C6	H10	110.806
C1	C6	H11	110.654	C1	C6	H12	110.654
C2	C1	C5	121.416	C2	C1	C6	121.416
H3	C2	H4	117.035	C5	C1	C6	117.167
H7	C5	H8	108.747	H7	C5	H9	108.747
H8	C5	H9	107.129	H10	C6	H11	108.747
H10	C6	H12	108.747	H11	C6	H12	107.129

All results from a given calculation for CH₂C(CH₃)CH₃ (1-Propene, 2-methyl-)

using model chemistry: CCSD=FULL/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 CH2C(CH3)CH3 (1-Propene, 2-methyl-)

using model chemistry: CCSD=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CH₂C(CH₃)CH₃ (1-Propene, 2-methyl-)