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	hartrees
Energy at 0K	-155.746391
Energy at 298.15K
HF Energy	-154.932911
Nuclear repulsion energy	108.835761

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.179	0.000
C2	-0.044	-1.320	0.000
C3	1.151	-0.409	0.000
C4	-0.839	1.382	0.000
H5	-0.312	-1.842	0.910
H6	-0.312	-1.842	-0.910
H7	2.220	-0.365	0.000
H8	-0.237	2.283	0.000
H9	-1.484	1.389	-0.874
H10	-1.484	1.389	0.874

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5003	1.2930	1.4662	2.2389	2.2389	2.2861	2.1174	2.1047	2.1047
C2	1.5003		1.5024	2.8166	1.0829	1.0829	2.4575	3.6089	3.1904	3.1904
C3	1.2930	1.5024		2.6776	2.2410	2.2410	1.0702	3.0298	3.3080	3.3080
C4	1.4662	2.8166	2.6776		3.3911	3.3911	3.5229	1.0841	1.0863	1.0863
H5	2.2389	1.0829	2.2410	3.3911		1.8199	3.0700	4.2255	3.8726	3.4374
H6	2.2389	1.0829	2.2410	3.3911	1.8199		3.0700	4.2255	3.4374	3.8726
H7	2.2861	2.4575	1.0702	3.5229	3.0700	3.0700		3.6129	4.1908	4.1908
H8	2.1174	3.6089	3.0298	1.0841	4.2255	4.2255	3.6129		1.7660	1.7660
H9	2.1047	3.1904	3.3080	1.0863	3.8726	3.4374	4.1908	1.7660		1.7481
H10	2.1047	3.1904	3.3080	1.0863	3.4374	3.8726	4.1908	1.7660	1.7481

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	51.013	H1	C2	C6	119.282
C2	C3	C6	24.921	C2	C3	C10	72.304
C2	C6	C3	35.775	C2	C6	H4	49.814
C2	C6	H5	32.828	C3	C2	C6	119.304
C3	C6	H4	52.025	C3	C6	H5	66.044
C3	C10	H7	9.320	C3	C10	H8	65.301
C3	C10	H9	74.679	H4	C6	H5	74.435
C6	C3	C10	86.256	H7	C10	H8	58.978
H7	C10	H9	77.962	H8	C10	H9	60.334

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

using model chemistry: MP2=FULL/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=FULL/cc-pVQZ

States and conformations

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