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	hartrees
Energy at 0K	-115.970069
Energy at 298.15K	-115.972746
Nuclear repulsion energy	59.052703

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3087	3029	0.00
2	A₁	1444	1417	0.00
3	A₁	1110	1090	0.00
4	B₁	864	848	0.00
5	B₂	3084	3026	0.02
6	B₂	2073	2035	61.24
7	B₂	1376	1350	8.62
8	E	3160	3101	0.39
8	E	3160	3101	0.39
9	E	985	967	0.98
9	E	985	967	0.98
10	E	813	798	66.50
10	E	813	798	66.50
11	E	385	378	4.21
11	E	385	378	4.21

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	0.935	1.879
H5	0.000	-0.935	1.879
H6	0.935	0.000	-1.879
H7	-0.935	0.000	-1.879

	C1	C2	C3	H4	H5	H6	H7
C1		1.3049	1.3049	2.0986	2.0986	2.0986	2.0986
C2	1.3049		2.6098	1.0970	1.0970	3.3182	3.3182
C3	1.3049	2.6098		3.3182	3.3182	1.0970	1.0970
H4	2.0986	1.0970	3.3182		1.8695	3.9836	3.9836
H5	2.0986	1.0970	3.3182	1.8695		3.9836	3.9836
H6	2.0986	3.3182	1.0970	3.9836	3.9836		1.8695
H7	2.0986	3.3182	1.0970	3.9836	3.9836	1.8695

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	121.555	C1	C2	H5	121.555
C1	C3	H6	121.555	C1	C3	H7	121.555
C2	C1	C3	180.000	H4	C2	H5	116.890
H6	C3	H7	116.890

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: LSDA/6-31G*

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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Number	Element	Mulliken
1	C	0.432
2	C	-0.600
3	C	-0.600
4	H	0.192
5	H	0.192
6	H	0.192
7	H	0.192

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2CCH2 (allene)

using model chemistry: LSDA/6-31G*

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)