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	hartrees
Energy at 0K	-155.697376
Energy at 298.15K
HF Energy	-154.942923
Nuclear repulsion energy	109.900297

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.649
C2	0.000	0.000	0.307
H3	0.000	0.894	2.167
H4	0.000	-0.894	2.167
C5	0.000	0.747	-0.891
C6	0.000	-0.747	-0.891
H7	0.916	0.928	-1.343
H8	-0.916	0.928	-1.343
H9	-0.916	-0.928	-1.343
H10	0.916	-0.928	-1.343

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3424	1.0330	1.0330	2.6476	2.6476	3.2636	3.2636	3.2636	3.2636
C2	1.3424		2.0638	2.0638	1.4114	1.4114	2.1027	2.1027	2.1027	2.1027
H3	1.0330	2.0638		1.7878	3.0614	3.4702	3.6273	3.6273	4.0591	4.0591
H4	1.0330	2.0638	1.7878		3.4702	3.0614	4.0591	4.0591	3.6273	3.6273
C5	2.6476	1.4114	3.0614	3.4702		1.4935	1.0376	1.0376	1.9619	1.9619
C6	2.6476	1.4114	3.4702	3.0614	1.4935		1.9619	1.9619	1.0376	1.0376
H7	3.2636	2.1027	3.6273	4.0591	1.0376	1.9619		1.8328	2.6087	1.8564
H8	3.2636	2.1027	3.6273	4.0591	1.0376	1.9619	1.8328		1.8564	2.6087
H9	3.2636	2.1027	4.0591	3.6273	1.9619	1.0376	2.6087	1.8564		1.8328
H10	3.2636	2.1027	4.0591	3.6273	1.9619	1.0376	1.8564	2.6087	1.8328

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.059	C1	C2	C6	148.059
C2	C1	H3	120.080	C2	C1	H4	120.080
C2	C5	C6	58.059	C2	C5	H7	117.505
C2	C5	H8	117.505	C2	C6	C5	58.059
C2	C6	H9	117.505	C2	C6	H10	117.505
H3	C1	H4	119.839	C5	C2	C6	63.883
C5	C6	H9	100.073	C5	C6	H10	100.073
C6	C5	H7	100.073	C6	C5	H8	100.073
H7	C5	H8	124.059	H9	C6	H10	124.059

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

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

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)