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	hartrees
Energy at 0K	-155.624477
Energy at 298.15K
HF Energy	-154.923777
Nuclear repulsion energy	108.244048

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.178	0.000
C2	-0.034	-1.331	0.000
C3	1.158	-0.401	0.000
C4	-0.853	1.386	0.000
H5	-0.302	-1.859	0.913
H6	-0.302	-1.859	-0.913
H7	2.231	-0.344	0.000
H8	-0.252	2.295	0.000
H9	-1.500	1.391	-0.879
H10	-1.500	1.391	0.879

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5089	1.2948	1.4786	2.2526	2.2526	2.2910	2.1319	2.1203	2.1203
C2	1.5089		1.5117	2.8371	1.0882	1.0882	2.4703	3.6321	3.2140	3.2140
C3	1.2948	1.5117		2.6902	2.2560	2.2560	1.0742	3.0426	3.3245	3.3245
C4	1.4786	2.8371	2.6902		3.4157	3.4157	3.5358	1.0897	1.0920	1.0920
H5	2.2526	1.0882	2.2560	3.4157		1.8256	3.0888	4.2535	3.9003	3.4644
H6	2.2526	1.0882	2.2560	3.4157	1.8256		3.0888	4.2535	3.4644	3.9003
H7	2.2910	2.4703	1.0742	3.5358	3.0888	3.0888		3.6235	4.2078	4.2078
H8	2.1319	3.6321	3.0426	1.0897	4.2535	4.2535	3.6235		1.7744	1.7744
H9	2.1203	3.2140	3.3245	1.0920	3.9003	3.4644	4.2078	1.7744		1.7585
H10	2.1203	3.2140	3.3245	1.0920	3.4644	3.9003	4.2078	1.7744	1.7585

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	50.763	H1	C2	C6	119.421
C2	C3	C6	24.821	C2	C3	C10	72.589
C2	C6	C3	35.673	C2	C6	H4	49.760
C2	C6	H5	32.985	C3	C2	C6	119.506
C3	C6	H4	51.853	C3	C6	H5	66.134
C3	C10	H7	9.374	C3	C10	H8	65.229
C3	C10	H9	74.664	H4	C6	H5	74.500
C6	C3	C10	86.446	H7	C10	H8	58.851
H7	C10	H9	77.939	H8	C10	H9	60.296

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

using model chemistry: QCISD/aug-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 C4H6 (1-Methylcyclopropene)

using model chemistry: QCISD/aug-cc-pVTZ

States and conformations

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