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	hartrees
Energy at 0K	-115.821516
Energy at 298.15K	-115.824463
HF Energy	-115.821516
Nuclear repulsion energy	59.580708

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	3324	3001	0.00	296.18	0.05	0.09
2	A₁	1641	1481	0.00	20.14	0.67	0.80
3	A₁	1193	1077	0.00	81.15	0.32	0.48
4	B₁	961	867	0.00	23.15	0.75	0.86
5	B₂	3323	3000	3.76	52.39	0.75	0.86
6	B₂	2221	2005	88.66	0.30	0.75	0.86
7	B₂	1589	1435	1.78	0.27	0.75	0.86
8	E	3405	3074	6.46	109.37	0.75	0.86
8	E	3405	3074	6.46	109.37	0.75	0.86
9	E	1160	1048	0.49	1.81	0.75	0.86
9	E	1160	1048	0.49	1.81	0.75	0.86
10	E	1056	954	85.42	1.20	0.75	0.86
10	E	1056	954	85.42	1.20	0.75	0.86
11	E	411	371	6.99	5.13	0.75	0.86
11	E	411	371	6.99	5.13	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.300
C3	0.000	0.000	-1.300
H4	0.000	0.916	1.859
H5	0.000	-0.916	1.859
H6	0.916	0.000	-1.859
H7	-0.916	0.000	-1.859

	C1	C2	C3	H4	H5	H6	H7
C1		1.2995	1.2995	2.0728	2.0728	2.0728	2.0728
C2	1.2995		2.5991	1.0737	1.0737	3.2890	3.2890
C3	1.2995	2.5991		3.2890	3.2890	1.0737	1.0737
H4	2.0728	1.0737	3.2890		1.8325	3.9378	3.9378
H5	2.0728	1.0737	3.2890	1.8325		3.9378	3.9378
H6	2.0728	3.2890	1.0737	3.9378	3.9378		1.8325
H7	2.0728	3.2890	1.0737	3.9378	3.9378	1.8325

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	121.420	C1	C2	H5	121.420
C1	C3	H6	121.420	C1	C3	H7	121.420
C2	C1	C3	180.000	H4	C2	H5	117.160
H6	C3	H7	117.160

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: HF/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	0.060
2	C	-0.410
3	C	-0.410
4	H	0.190
5	H	0.190
6	H	0.190
7	H	0.190

<r²>	48.798
(<r²>)^1/2	6.986

All results from a given calculation for CH2CCH2 (allene)

using model chemistry: HF/6-31G

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)