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	hartrees
Energy at 0K	-116.528118
Energy at 298.15K
HF Energy	-115.913580
Nuclear repulsion energy	59.469687

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.302
C3	0.000	0.000	-1.302
H4	0.000	0.925	1.856
H5	0.000	-0.925	1.856
H6	0.925	0.000	-1.856
H7	-0.925	0.000	-1.856

	C1	C2	C3	H4	H5	H6	H7
C1		1.3015	1.3015	2.0733	2.0733	2.0733	2.0733
C2	1.3015		2.6031	1.0780	1.0780	3.2898	3.2898
C3	1.3015	2.6031		3.2898	3.2898	1.0780	1.0780
H4	2.0733	1.0780	3.2898		1.8493	3.9350	3.9350
H5	2.0733	1.0780	3.2898	1.8493		3.9350	3.9350
H6	2.0733	3.2898	1.0780	3.9350	3.9350		1.8493
H7	2.0733	3.2898	1.0780	3.9350	3.9350	1.8493

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.933	C1	C2	H5	120.933
C1	C3	H6	120.933	C1	C3	H7	120.933
C2	C1	C3	180.000	H4	C2	H5	118.134
H6	C3	H7	118.134

All results from a given calculation for CH₂CCH₂ (allene)

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 CH2CCH2 (allene)

using model chemistry: CCSD=FULL/cc-pVQZ

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)