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	hartrees
Energy at 0K	-116.356068
Energy at 298.15K
HF Energy	-115.876348
Nuclear repulsion energy	59.241145

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3199	3030	0.00
2	A₁	1515	1435	0.00
3	A₁	1116	1057	0.00
4	B₁	895	847	0.00
5	B₂	3198	3029	0.54
6	B₂	2095	1985	26.79
7	B₂	1457	1380	1.87
8	E	3283	3110	0.99
8	E	3283	3110	0.99
9	E	1042	987	0.62
9	E	1042	987	0.62
10	E	895	848	47.21
10	E	895	848	47.21
11	E	375	355	3.72
11	E	375	355	3.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.306
C3	0.000	0.000	-1.306
H4	0.000	0.927	1.867
H5	0.000	-0.927	1.867
H6	0.927	0.000	-1.867
H7	-0.927	0.000	-1.867

	C1	C2	C3	H4	H5	H6	H7
C1		1.3057	1.3057	2.0841	2.0841	2.0841	2.0841
C2	1.3057		2.6115	1.0832	1.0832	3.3051	3.3051
C3	1.3057	2.6115		3.3051	3.3051	1.0832	1.0832
H4	2.0841	1.0832	3.3051		1.8532	3.9569	3.9569
H5	2.0841	1.0832	3.3051	1.8532		3.9569	3.9569
H6	2.0841	3.3051	1.0832	3.9569	3.9569		1.8532
H7	2.0841	3.3051	1.0832	3.9569	3.9569	1.8532

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	121.196	C1	C2	H5	121.196
C1	C3	H6	121.196	C1	C3	H7	121.196
C2	C1	C3	180.000	H4	C2	H5	117.608
H6	C3	H7	117.608

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: CCD/6-31G(2df,p)

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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All results from a given calculation for CH2CCH2 (allene)

using model chemistry: CCD/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)