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	hartrees
Energy at 0K	-116.336814
Energy at 298.15K
HF Energy	-115.874260
Nuclear repulsion energy	58.217056

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1068	1068
2	B₁	849	849
3	B₂	1985	1985
4	E	3224	3224
5	E	3224	3224
6	E	3131	3131
7	E	3130	3130
8	E	1465	1465
8	E	1418	1418
9	E	994	994
9	E	994	994
10	E	853	853
10	E	853	853
11	E	315	315
11	E	314	314

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.332
C3	0.000	0.000	-1.332
H4	0.000	0.940	1.895
H5	0.000	-0.940	1.895
H6	0.940	0.000	-1.895
H7	-0.940	0.000	-1.895

	C1	C2	C3	H4	H5	H6	H7
C1		1.3320	1.3320	2.1155	2.1155	2.1155	2.1155
C2	1.3320		2.6639	1.0960	1.0960	3.3612	3.3612
C3	1.3320	2.6639		3.3612	3.3612	1.0960	1.0960
H4	2.1155	1.0960	3.3612		1.8807	4.0165	4.0165
H5	2.1155	1.0960	3.3612	1.8807		4.0165	4.0165
H6	2.1155	3.3612	1.0960	4.0165	4.0165		1.8807
H7	2.1155	3.3612	1.0960	4.0165	4.0165	1.8807

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.912	C1	C2	H5	120.912
C1	C3	H6	120.912	C1	C3	H7	120.912
C2	C1	C3	180.000	H4	C2	H5	118.177
H6	C3	H7	118.177

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: CCSD(T)/daug-cc-pVDZ

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(T)/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)