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	hartrees
Energy at 0K	-115.512617
Energy at 298.15K
HF Energy	-115.217269
Nuclear repulsion energy	58.723660

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3128	2992	0.00
2	A₁	1555	1488	0.00
3	A₁	1097	1049	0.00
4	B₁	901	862	0.00
5	B₂	3127	2991	4.72
6	B₂	2036	1948	8.37
7	B₂	1518	1452	2.47
8	E	3195	3056	6.10
8	E	3195	3056	6.10
9	E	1097	1049	0.14
9	E	1097	1049	0.14
10	E	932	892	59.23
10	E	932	892	59.23
11	E	323	309	5.29
11	E	323	309	5.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.318
C3	0.000	0.000	-1.318
H4	0.000	0.927	1.892
H5	0.000	-0.927	1.892
H6	0.927	0.000	-1.892
H7	-0.927	0.000	-1.892

	C1	C2	C3	H4	H5	H6	H7
C1		1.3178	1.3178	2.1063	2.1063	2.1063	2.1063
C2	1.3178		2.6357	1.0899	1.0899	3.3405	3.3405
C3	1.3178	2.6357		3.3405	3.3405	1.0899	1.0899
H4	2.1063	1.0899	3.3405		1.8533	4.0036	4.0036
H5	2.1063	1.0899	3.3405	1.8533		4.0036	4.0036
H6	2.1063	3.3405	1.0899	4.0036	4.0036		1.8533
H7	2.1063	3.3405	1.0899	4.0036	4.0036	1.8533

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	121.762	C1	C2	H5	121.762
C1	C3	H6	121.762	C1	C3	H7	121.762
C2	C1	C3	180.000	H4	C2	H5	116.477
H6	C3	H7	116.477

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: CCD/3-21G*

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: CCD/3-21G*

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)