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	hartrees
Energy at 0K	-155.638471
Energy at 298.15K
HF Energy	-154.932801
Nuclear repulsion energy	108.460062

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.180	0.000
C2	-0.050	-1.326	0.000
C3	1.153	-0.415	0.000
C4	-0.836	1.391	0.000
H5	-0.320	-1.848	0.912
H6	-0.320	-1.848	-0.912
H7	2.225	-0.373	0.000
H8	-0.226	2.291	0.000
H9	-1.482	1.401	-0.877
H10	-1.482	1.401	0.877

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5063	1.2975	1.4715	2.2467	2.2467	2.2931	2.1233	2.1110	2.1110
C2	1.5063		1.5085	2.8280	1.0857	1.0857	2.4663	3.6210	3.2024	3.2024
C3	1.2975	1.5085		2.6865	2.2488	2.2488	1.0732	3.0374	3.3181	3.3181
C4	1.4715	2.8280	2.6865		3.4044	3.4044	3.5332	1.0870	1.0891	1.0891
H5	2.2467	1.0857	2.2488	3.4044		1.8246	3.0804	4.2396	3.8870	3.4509
H6	2.2467	1.0857	2.2488	3.4044	1.8246		3.0804	4.2396	3.4509	3.8870
H7	2.2931	2.4663	1.0732	3.5332	3.0804	3.0804		3.6207	4.2024	4.2024
H8	2.1233	3.6210	3.0374	1.0870	4.2396	4.2396	3.6207		1.7710	1.7710
H9	2.1110	3.2024	3.3181	1.0891	3.8870	3.4509	4.2024	1.7710		1.7537
H10	2.1110	3.2024	3.3181	1.0891	3.4509	3.8870	4.2024	1.7710	1.7537

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	50.982	H1	C2	C6	119.294
C2	C3	C6	24.899	C2	C3	C10	72.382
C2	C6	C3	35.802	C2	C6	H4	49.805
C2	C6	H5	32.826	C3	C2	C6	119.299
C3	C6	H4	51.985	C3	C6	H5	66.066
C3	C10	H7	9.339	C3	C10	H8	65.249
C3	C10	H9	74.677	H4	C6	H5	74.456
C6	C3	C10	86.318	H7	C10	H8	58.906
H7	C10	H9	77.957	H8	C10	H9	60.323

All results from a given calculation for C₄H₆ (1-Methylcyclopropene)

using model chemistry: MP2/aug-cc-pVQZ

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 C4H6 (1-Methylcyclopropene)

using model chemistry: MP2/aug-cc-pVQZ

States and conformations

All results from a given calculation for C₄H₆ (1-Methylcyclopropene)