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	hartrees
Energy at 0K	-156.734741
Energy at 298.15K
HF Energy	-156.123475
Nuclear repulsion energy	119.745428

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.113
C2	0.000	0.000	1.451
H3	0.000	0.919	2.019
H4	0.000	-0.919	2.019
C5	0.000	1.289	-0.675
C6	0.000	-1.289	-0.675
H7	0.000	2.151	-0.014
H8	0.876	1.349	-1.321
H9	-0.876	1.349	-1.321
H10	0.000	-2.151	-0.014
H11	-0.876	-1.349	-1.321
H12	0.876	-1.349	-1.321

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3383	2.1163	2.1163	1.5110	1.5110	2.1542	2.1548	2.1548	2.1542	2.1548	2.1548
C2	1.3383		1.0805	1.0805	2.4865	2.4865	2.6017	3.2051	3.2051	2.6017	3.2051	3.2051
H3	2.1163	1.0805		1.8382	2.7195	3.4836	2.3764	3.4799	3.4799	3.6815	4.1314	4.1314
H4	2.1163	1.0805	1.8382		3.4836	2.7195	3.6815	4.1314	4.1314	2.3764	3.4799	3.4799
C5	1.5110	2.4865	2.7195	3.4836		2.5785	1.0862	1.0902	1.0902	3.5029	2.8538	2.8538
C6	1.5110	2.4865	3.4836	2.7195	2.5785		3.5029	2.8538	2.8538	1.0862	1.0902	1.0902
H7	2.1542	2.6017	2.3764	3.6815	1.0862	3.5029		1.7666	1.7666	4.3010	3.8371	3.8371
H8	2.1548	3.2051	3.4799	4.1314	1.0902	2.8538	1.7666		1.7523	3.8371	3.2168	2.6976
H9	2.1548	3.2051	3.4799	4.1314	1.0902	2.8538	1.7666	1.7523		3.8371	2.6976	3.2168
H10	2.1542	2.6017	3.6815	2.3764	3.5029	1.0862	4.3010	3.8371	3.8371		1.7666	1.7666
H11	2.1548	3.2051	4.1314	3.4799	2.8538	1.0902	3.8371	3.2168	2.6976	1.7666		1.7523
H12	2.1548	3.2051	4.1314	3.4799	2.8538	1.0902	3.8371	2.6976	3.2168	1.7666	1.7523

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.718	C1	C2	H4	121.718
C1	C5	H7	111.029	C1	C5	H8	110.832
C1	C5	H9	110.832	C1	C6	H10	111.029
C1	C6	H11	110.832	C1	C6	H12	110.832
C2	C1	C5	121.431	C2	C1	C6	121.431
H3	C2	H4	116.565	C5	C1	C6	117.138
H7	C5	H8	108.527	H7	C5	H9	108.527
H8	C5	H9	106.960	H10	C6	H11	108.527
H10	C6	H12	108.527	H11	C6	H12	106.960

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

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

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