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	hartrees
Energy at 0K	-114.421719
Energy at 298.15K	-114.424572
HF Energy	-114.421719
Nuclear repulsion energy	59.815910

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	3632	2965	0.00	140.91	0.07	0.14
2	A₁	1776	1450	0.00	26.35	0.74	0.85
3	A₁	1293	1056	0.00	59.51	0.37	0.55
4	B₁	1052	859	0.00	14.88	0.75	0.86
5	B₂	3639	2971	74.43	19.40	0.75	0.86
6	B₂	2452	2002	5.68	0.26	0.75	0.86
7	B₂	1703	1390	0.24	4.32	0.75	0.86
8	E	3778	3085	2.08	67.34	0.75	0.86
8	E	3778	3085	2.08	67.34	0.75	0.86
9	E	1210	988	0.25	0.70	0.75	0.86
9	E	1210	988	0.25	0.70	0.75	0.86
10	E	1094	893	28.01	0.10	0.75	0.86
10	E	1094	893	28.01	0.10	0.75	0.86
11	E	427	349	0.27	2.44	0.75	0.86
11	E	427	349	0.27	2.44	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.288
C3	0.000	0.000	-1.288
H4	0.000	0.919	1.860
H5	0.000	-0.919	1.860
H6	0.919	0.000	-1.860
H7	-0.919	0.000	-1.860

	C1	C2	C3	H4	H5	H6	H7
C1		1.2879	1.2879	2.0750	2.0750	2.0750	2.0750
C2	1.2879		2.5758	1.0827	1.0827	3.2797	3.2797
C3	1.2879	2.5758		3.2797	3.2797	1.0827	1.0827
H4	2.0750	1.0827	3.2797		1.8379	3.9412	3.9412
H5	2.0750	1.0827	3.2797	1.8379		3.9412	3.9412
H6	2.0750	3.2797	1.0827	3.9412	3.9412		1.8379
H7	2.0750	3.2797	1.0827	3.9412	3.9412	1.8379

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	121.921	C1	C2	H5	121.921
C1	C3	H6	121.921	C1	C3	H7	121.921
C2	C1	C3	180.000	H4	C2	H5	116.157
H6	C3	H7	116.157

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: HF/STO-3G

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	0.029
2	C	-0.170
3	C	-0.170
4	H	0.078
5	H	0.078
6	H	0.078
7	H	0.078

<r²>	47.713
(<r²>)^1/2	6.907

All results from a given calculation for CH2CCH2 (allene)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)