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	hartrees
Energy at 0K	-116.443202
Energy at 298.15K	-116.445911
HF Energy	-115.903620
Nuclear repulsion energy	59.314745

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	3185	3002	0.00	320.46	0.07	0.12
2	A₁	1485	1400	0.00	18.06	0.75	0.86
3	A₁	1098	1035	0.00	43.09	0.14	0.25
4	B₁	896	845	0.00	0.34	0.75	0.86
5	B₂	3184	3001	0.06	30.54	0.75	0.86
6	B₂	2044	1927	55.29	3.93	0.75	0.86
7	B₂	1432	1350	3.67	0.27	0.75	0.86
8	E	3277	3090	0.00	84.05	0.75	0.86
8	E	3277	3090	0.00	84.05	0.75	0.86
9	E	1014	956	1.77	0.01	0.75	0.86
9	E	1014	956	1.77	0.01	0.75	0.86
10	E	862	812	54.44	2.36	0.75	0.86
10	E	862	812	54.44	2.36	0.75	0.86
11	E	364	344	7.14	0.44	0.75	0.86
11	E	364	344	7.14	0.44	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.305
C3	0.000	0.000	-1.305
H4	0.000	0.927	1.859
H5	0.000	-0.927	1.859
H6	0.927	0.000	-1.859
H7	-0.927	0.000	-1.859

	C1	C2	C3	H4	H5	H6	H7
C1		1.3053	1.3053	2.0777	2.0777	2.0777	2.0777
C2	1.3053		2.6107	1.0801	1.0801	3.2977	3.2977
C3	1.3053	2.6107		3.2977	3.2977	1.0801	1.0801
H4	2.0777	1.0801	3.2977		1.8546	3.9430	3.9430
H5	2.0777	1.0801	3.2977	1.8546		3.9430	3.9430
H6	2.0777	3.2977	1.0801	3.9430	3.9430		1.8546
H7	2.0777	3.2977	1.0801	3.9430	3.9430	1.8546

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.854	C1	C2	H5	120.854
C1	C3	H6	120.854	C1	C3	H7	120.854
C2	C1	C3	180.000	H4	C2	H5	118.293
H6	C3	H7	118.293

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: MP2=FULL/6-311+G(3df,2p)

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=FULL/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)