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	hartrees
Energy at 0K	-116.412455
Energy at 298.15K
HF Energy	-115.906802
Nuclear repulsion energy	59.247556

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.307
C3	0.000	0.000	-1.307
H4	0.000	0.928	1.862
H5	0.000	-0.928	1.862
H6	0.928	0.000	-1.862
H7	-0.928	0.000	-1.862

	C1	C2	C3	H4	H5	H6	H7
C1		1.3067	1.3067	2.0805	2.0805	2.0805	2.0805
C2	1.3067		2.6133	1.0816	1.0816	3.3018	3.3018
C3	1.3067	2.6133		3.3018	3.3018	1.0816	1.0816
H4	2.0805	1.0816	3.3018		1.8564	3.9485	3.9485
H5	2.0805	1.0816	3.3018	1.8564		3.9485	3.9485
H6	2.0805	3.3018	1.0816	3.9485	3.9485		1.8564
H7	2.0805	3.3018	1.0816	3.9485	3.9485	1.8564

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.889	C1	C2	H5	120.889
C1	C3	H6	120.889	C1	C3	H7	120.889
C2	C1	C3	180.000	H4	C2	H5	118.222
H6	C3	H7	118.222

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: CCD/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 CH2CCH2 (allene)

using model chemistry: CCD/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)