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	hartrees
Energy at 0K	-155.642808
Energy at 298.15K
HF Energy	-154.943259
Nuclear repulsion energy	109.282610

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.652
C2	0.000	0.000	0.307
H3	0.000	0.895	2.171
H4	0.000	-0.895	2.171
C5	0.000	0.747	-0.893
C6	0.000	-0.747	-0.893
H7	0.918	0.927	-1.345
H8	-0.918	0.927	-1.345
H9	-0.918	-0.927	-1.345
H10	0.918	-0.927	-1.345

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3451	1.0344	1.0344	2.6520	2.6520	3.2688	3.2688	3.2688	3.2688
C2	1.3451		2.0675	2.0675	1.4132	1.4132	2.1050	2.1050	2.1050	2.1050
H3	1.0344	2.0675		1.7901	3.0668	3.4756	3.6338	3.6338	4.0649	4.0649
H4	1.0344	2.0675	1.7901		3.4756	3.0668	4.0649	4.0649	3.6338	3.6338
C5	2.6520	1.4132	3.0668	3.4756		1.4942	1.0390	1.0390	1.9621	1.9621
C6	2.6520	1.4132	3.4756	3.0668	1.4942		1.9621	1.9621	1.0390	1.0390
H7	3.2688	2.1050	3.6338	4.0649	1.0390	1.9621		1.8354	2.6090	1.8543
H8	3.2688	2.1050	3.6338	4.0649	1.0390	1.9621	1.8354		1.8543	2.6090
H9	3.2688	2.1050	4.0649	3.6338	1.9621	1.0390	2.6090	1.8543		1.8354
H10	3.2688	2.1050	4.0649	3.6338	1.9621	1.0390	1.8543	2.6090	1.8354

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.085	C1	C2	C6	148.085
C2	C1	H3	120.090	C2	C1	H4	120.090
C2	C5	C6	58.085	C2	C5	H7	117.475
C2	C5	H8	117.475	C2	C6	C5	58.085
C2	C6	H9	117.475	C2	C6	H10	117.475
H3	C1	H4	119.820	C5	C2	C6	63.830
C5	C6	H9	99.980	C5	C6	H10	99.980
C6	C5	H7	99.980	C6	C5	H8	99.980
H7	C5	H8	124.086	H9	C6	H10	124.086

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

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 (Methylenecyclopropane)

using model chemistry: QCISD/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)