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	hartrees
Energy at 0K	-116.328936
Energy at 298.15K	-116.331675
HF Energy	-115.876286
Nuclear repulsion energy	59.215187

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3206	3028	0.00	245.68	0.05	0.10
2	A₁	1494	1411	0.00	24.51	0.59	0.75
3	A₁	1106	1045	0.00	29.72	0.27	0.43
4	B₁	904	854	0.00	13.12	0.75	0.86
5	B₂	3206	3028	0.02	39.97	0.75	0.86
6	B₂	2071	1956	28.47	0.03	0.75	0.86
7	B₂	1441	1361	2.45	0.28	0.75	0.86
8	E	3298	3115	0.09	81.15	0.75	0.86
8	E	3298	3115	0.09	81.15	0.75	0.86
9	E	1027	970	0.31	0.08	0.75	0.86
9	E	1027	970	0.31	0.08	0.75	0.86
10	E	871	822	50.14	0.02	0.75	0.86
10	E	871	822	50.14	0.02	0.75	0.86
11	E	376	355	3.81	1.87	0.75	0.86
11	E	376	355	3.81	1.87	0.75	0.86

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	0.927	1.866
H5	0.000	-0.927	1.866
H6	0.927	0.000	-1.866
H7	-0.927	0.000	-1.866

	C1	C2	C3	H4	H5	H6	H7
C1		1.3068	1.3068	2.0838	2.0838	2.0838	2.0838
C2	1.3068		2.6136	1.0829	1.0829	3.3056	3.3056
C3	1.3068	2.6136		3.3056	3.3056	1.0829	1.0829
H4	2.0838	1.0829	3.3056		1.8545	3.9559	3.9559
H5	2.0838	1.0829	3.3056	1.8545		3.9559	3.9559
H6	2.0838	3.3056	1.0829	3.9559	3.9559		1.8545
H7	2.0838	3.3056	1.0829	3.9559	3.9559	1.8545

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	121.098	C1	C2	H5	121.098
C1	C3	H6	121.098	C1	C3	H7	121.098
C2	C1	C3	180.000	H4	C2	H5	117.803
H6	C3	H7	117.803

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)