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	hartrees
Energy at 0K	-116.577563
Energy at 298.15K	-116.580221
HF Energy	-116.577563
Nuclear repulsion energy	58.847161

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	3090	3029	0.00	309.44	0.05	0.10
2	A₁	1476	1447	0.00	27.41	0.60	0.75
3	A₁	1099	1078	0.00	48.29	0.31	0.47
4	B₁	871	854	0.00	22.06	0.75	0.86
5	B₂	3086	3025	10.75	51.99	0.75	0.86
6	B₂	2027	1987	46.50	0.02	0.75	0.86
7	B₂	1424	1396	1.90	0.31	0.75	0.86
8	E	3156	3094	7.00	115.18	0.75	0.86
8	E	3156	3094	7.00	115.18	0.75	0.86
9	E	1011	991	0.00	0.22	0.75	0.86
9	E	1011	991	0.00	0.22	0.75	0.86
10	E	821	805	57.52	0.00	0.75	0.86
10	E	821	805	57.52	0.00	0.75	0.86
11	E	367	360	2.84	2.90	0.75	0.86
11	E	367	360	2.84	2.90	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	1.885
H5	0.000	-0.931	1.885
H6	0.931	0.000	-1.885
H7	-0.931	0.000	-1.885

	C1	C2	C3	H4	H5	H6	H7
C1		1.3129	1.3129	2.1027	2.1027	2.1027	2.1027
C2	1.3129		2.6258	1.0928	1.0928	3.3311	3.3311
C3	1.3129	2.6258		3.3311	3.3311	1.0928	1.0928
H4	2.1027	1.0928	3.3311		1.8617	3.9941	3.9941
H5	2.1027	1.0928	3.3311	1.8617		3.9941	3.9941
H6	2.1027	3.3311	1.0928	3.9941	3.9941		1.8617
H7	2.1027	3.3311	1.0928	3.9941	3.9941	1.8617

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	121.595	C1	C2	H5	121.595
C1	C3	H6	121.595	C1	C3	H7	121.595
C2	C1	C3	180.000	H4	C2	H5	116.809
H6	C3	H7	116.809

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: B97D3/6-31G*

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	0.371
2	C	-0.529
3	C	-0.529
4	H	0.171
5	H	0.171
6	H	0.171
7	H	0.171

<r²>	49.396
(<r²>)^1/2	7.028

All results from a given calculation for CH2CCH2 (allene)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)