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	hartrees
Energy at 0K	-115.959988
Energy at 298.15K	-115.962654
HF Energy	-115.959988
Nuclear repulsion energy	58.796127

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	3055	3038	0.00	278.15	0.06	0.11
2	A₁	1494	1486	0.00	36.38	0.61	0.76
3	A₁	1094	1088	0.00	41.25	0.33	0.50
4	B₁	879	874	0.00	29.42	0.75	0.86
5	B₂	3051	3035	4.01	42.98	0.75	0.86
6	B₂	2008	1997	38.45	0.15	0.75	0.86
7	B₂	1457	1449	4.53	0.83	0.75	0.86
8	E	3115	3098	5.28	108.72	0.75	0.86
8	E	3115	3098	5.28	108.72	0.75	0.86
9	E	1036	1031	0.72	0.61	0.75	0.86
9	E	1036	1031	0.72	0.61	0.75	0.86
10	E	856	851	69.66	0.00	0.75	0.86
10	E	856	851	69.66	0.00	0.75	0.86
11	E	348	346	4.18	3.51	0.75	0.86
11	E	348	346	4.18	3.51	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.313
C3	0.000	0.000	-1.313
H4	0.000	0.931	1.890
H5	0.000	-0.931	1.890
H6	0.931	0.000	-1.890
H7	-0.931	0.000	-1.890

	C1	C2	C3	H4	H5	H6	H7
C1		1.3135	1.3135	2.1064	2.1064	2.1064	2.1064
C2	1.3135		2.6269	1.0947	1.0947	3.3355	3.3355
C3	1.3135	2.6269		3.3355	3.3355	1.0947	1.0947
H4	2.1064	1.0947	3.3355		1.8617	4.0018	4.0018
H5	2.1064	1.0947	3.3355	1.8617		4.0018	4.0018
H6	2.1064	3.3355	1.0947	4.0018	4.0018		1.8617
H7	2.1064	3.3355	1.0947	4.0018	4.0018	1.8617

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	121.751	C1	C2	H5	121.751
C1	C3	H6	121.751	C1	C3	H7	121.751
C2	C1	C3	180.000	H4	C2	H5	116.497
H6	C3	H7	116.497

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	0.171
2	C	-0.479
3	C	-0.479
4	H	0.197
5	H	0.197
6	H	0.197
7	H	0.197

<r²>	49.613
(<r²>)^1/2	7.044

All results from a given calculation for CH2CCH2 (allene)

using model chemistry: BLYP/3-21G

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)