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	hartrees
Energy at 0K	-116.474927
Energy at 298.15K
HF Energy	-115.907270
Nuclear repulsion energy	59.401637

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.303
C3	0.000	0.000	-1.303
H4	0.000	0.925	1.858
H5	0.000	-0.925	1.858
H6	0.925	0.000	-1.858
H7	-0.925	0.000	-1.858

	C1	C2	C3	H4	H5	H6	H7
C1		1.3031	1.3031	2.0757	2.0757	2.0757	2.0757
C2	1.3031		2.6063	1.0789	1.0789	3.2939	3.2939
C3	1.3031	2.6063		3.2939	3.2939	1.0789	1.0789
H4	2.0757	1.0789	3.2939		1.8505	3.9399	3.9399
H5	2.0757	1.0789	3.2939	1.8505		3.9399	3.9399
H6	2.0757	3.2939	1.0789	3.9399	3.9399		1.8505
H7	2.0757	3.2939	1.0789	3.9399	3.9399	1.8505

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.956	C1	C2	H5	120.956
C1	C3	H6	120.956	C1	C3	H7	120.956
C2	C1	C3	180.000	H4	C2	H5	118.088
H6	C3	H7	118.088

All results from a given calculation for CH₂CCH₂ (allene)

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

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)