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	hartrees
Energy at 0K	-116.417042
Energy at 298.15K
HF Energy	-115.906778
Nuclear repulsion energy	59.187610

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.308
C3	0.000	0.000	-1.308
H4	0.000	0.928	1.864
H5	0.000	-0.928	1.864
H6	0.928	0.000	-1.864
H7	-0.928	0.000	-1.864

	C1	C2	C3	H4	H5	H6	H7
C1		1.3083	1.3083	2.0823	2.0823	2.0823	2.0823
C2	1.3083		2.6167	1.0819	1.0819	3.3053	3.3053
C3	1.3083	2.6167		3.3053	3.3053	1.0819	1.0819
H4	2.0823	1.0819	3.3053		1.8566	3.9523	3.9523
H5	2.0823	1.0819	3.3053	1.8566		3.9523	3.9523
H6	2.0823	3.3053	1.0819	3.9523	3.9523		1.8566
H7	2.0823	3.3053	1.0819	3.9523	3.9523	1.8566

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.902	C1	C2	H5	120.902
C1	C3	H6	120.902	C1	C3	H7	120.902
C2	C1	C3	180.000	H4	C2	H5	118.197
H6	C3	H7	118.197

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: CCSD/daug-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 CH2CCH2 (allene)

using model chemistry: CCSD/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)