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	hartrees
Energy at 0K	-115.971923
Energy at 298.15K
HF Energy	-115.971923
Nuclear repulsion energy	59.200102

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3147	3020	0.00
2	A₁	1522	1460	0.00
3	A₁	1129	1083	0.00
4	B₁	903	866	0.00
5	B₂	3145	3017	0.62
6	B₂	2085	2000	50.32
7	B₂	1478	1418	6.69
8	E	3219	3089	2.10
8	E	3219	3089	2.10
9	E	1063	1020	1.76
9	E	1063	1020	1.76
10	E	907	870	83.51
10	E	907	870	83.51
11	E	365	350	6.47
11	E	365	350	6.47

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	0.928	1.873
H5	0.000	-0.928	1.873
H6	0.928	0.000	-1.873
H7	-0.928	0.000	-1.873

	C1	C2	C3	H4	H5	H6	H7
C1		1.3046	1.3046	2.0899	2.0899	2.0899	2.0899
C2	1.3046		2.6091	1.0878	1.0878	3.3100	3.3100
C3	1.3046	2.6091		3.3100	3.3100	1.0878	1.0878
H4	2.0899	1.0878	3.3100		1.8552	3.9687	3.9687
H5	2.0899	1.0878	3.3100	1.8552		3.9687	3.9687
H6	2.0899	3.3100	1.0878	3.9687	3.9687		1.8552
H7	2.0899	3.3100	1.0878	3.9687	3.9687	1.8552

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	121.493	C1	C2	H5	121.493
C1	C3	H6	121.493	C1	C3	H7	121.493
C2	C1	C3	180.000	H4	C2	H5	117.015
H6	C3	H7	117.015

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: B3PW91/3-21G*

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	0.129
2	C	-0.538
3	C	-0.538
4	H	0.237
5	H	0.237
6	H	0.237
7	H	0.237

<r²>	48.972
(<r²>)^1/2	6.998

All results from a given calculation for CH2CCH2 (allene)

using model chemistry: B3PW91/3-21G*

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)