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	hartrees
Energy at 0K	-155.773995
Energy at 298.15K
HF Energy	-154.933296
Nuclear repulsion energy	108.836571

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.177	0.000
C2	-0.029	-1.322	0.000
C3	1.153	-0.396	0.000
C4	-0.853	1.375	0.000
H5	-0.293	-1.851	0.909
H6	-0.293	-1.851	-0.909
H7	2.221	-0.337	0.000
H8	-0.258	2.283	0.000
H9	-1.498	1.378	-0.875
H10	-1.498	1.378	0.875

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4994	1.2869	1.4711	2.2412	2.2412	2.2793	2.1220	2.1102	2.1102
C2	1.4994		1.5018	2.8206	1.0840	1.0840	2.4566	3.6125	3.1960	3.1960
C3	1.2869	1.5018		2.6756	2.2436	2.2436	1.0699	3.0275	3.3072	3.3072
C4	1.4711	2.8206	2.6756		3.3980	3.3980	3.5183	1.0853	1.0873	1.0873
H5	2.2412	1.0840	2.2436	3.3980		1.8177	3.0725	4.2326	3.8805	3.4461
H6	2.2412	1.0840	2.2436	3.3980	1.8177		3.0725	4.2326	3.4461	3.8805
H7	2.2793	2.4566	1.0699	3.5183	3.0725	3.0725		3.6065	4.1874	4.1874
H8	2.1220	3.6125	3.0275	1.0853	4.2326	4.2326	3.6065		1.7671	1.7671
H9	2.1102	3.1960	3.3072	1.0873	3.8805	3.4461	4.1874	1.7671		1.7509
H10	2.1102	3.1960	3.3072	1.0873	3.4461	3.8805	4.1874	1.7671	1.7509

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	50.783	H1	C2	C6	119.484
C2	C3	C6	24.865	C2	C3	C10	72.552
C2	C6	C3	35.629	C2	C6	H4	49.688
C2	C6	H5	33.025	C3	C2	C6	119.507
C3	C6	H4	51.838	C3	C6	H5	66.104
C3	C10	H7	9.374	C3	C10	H8	65.246
C3	C10	H9	74.650	H4	C6	H5	74.486
C6	C3	C10	86.474	H7	C10	H8	58.873
H7	C10	H9	77.933	H8	C10	H9	60.304

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

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

States and conformations

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