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	hartrees
Energy at 0K	-115.953848
Energy at 298.15K	-115.956638
HF Energy	-115.953848
Nuclear repulsion energy	59.257197

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	3192	3060	0.00	247.61	0.05	0.10
2	A₁	1535	1472	0.00	23.34	0.66	0.79
3	A₁	1139	1092	0.00	44.71	0.34	0.51
4	B₁	905	867	0.00	27.17	0.75	0.86
5	B₂	3190	3058	0.11	39.68	0.75	0.86
6	B₂	2115	2027	45.45	0.37	0.75	0.86
7	B₂	1486	1425	5.30	0.64	0.75	0.86
8	E	3264	3129	0.71	88.62	0.75	0.86
8	E	3264	3129	0.71	88.62	0.75	0.86
9	E	1075	1030	2.19	0.74	0.75	0.86
9	E	1075	1030	2.19	0.74	0.75	0.86
10	E	943	905	77.41	0.10	0.75	0.86
10	E	943	905	77.41	0.10	0.75	0.86
11	E	373	357	7.35	3.62	0.75	0.86
11	E	373	357	7.35	3.62	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.304
C3	0.000	0.000	-1.304
H4	0.000	0.927	1.869
H5	0.000	-0.927	1.869
H6	0.927	0.000	-1.869
H7	-0.927	0.000	-1.869

	C1	C2	C3	H4	H5	H6	H7
C1		1.3041	1.3041	2.0860	2.0860	2.0860	2.0860
C2	1.3041		2.6081	1.0855	1.0855	3.3054	3.3054
C3	1.3041	2.6081		3.3054	3.3054	1.0855	1.0855
H4	2.0860	1.0855	3.3054		1.8541	3.9607	3.9607
H5	2.0860	1.0855	3.3054	1.8541		3.9607	3.9607
H6	2.0860	3.3054	1.0855	3.9607	3.9607		1.8541
H7	2.0860	3.3054	1.0855	3.9607	3.9607	1.8541

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	121.344	C1	C2	H5	121.344
C1	C3	H6	121.344	C1	C3	H7	121.344
C2	C1	C3	180.000	H4	C2	H5	117.313
H6	C3	H7	117.313

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: M06-2X/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	0.061
2	C	-0.486
3	C	-0.486
4	H	0.228
5	H	0.228
6	H	0.228
7	H	0.228

<r²>	48.977
(<r²>)^1/2	6.998

All results from a given calculation for CH2CCH2 (allene)

using model chemistry: M06-2X/3-21G

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)