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	hartrees
Energy at 0K	-116.527878
Energy at 298.15K
HF Energy	-116.390587
Nuclear repulsion energy	59.149271

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	3186	3186	0.00	282.86	0.05	0.10
2	A₁	1517	1517	0.00	25.07	0.62	0.76
3	A₁	1117	1117	0.00	45.79	0.31	0.47
4	B₁	897	897	0.00	20.45	0.75	0.86
5	B₂	3185	3185	2.76	47.33	0.75	0.86
6	B₂	2073	2073	44.10	0.06	0.75	0.86
7	B₂	1461	1461	1.42	0.38	0.75	0.86
8	E	3268	3268	2.87	101.27	0.75	0.86
8	E	3268	3268	2.87	101.27	0.75	0.86
9	E	1038	1038	0.07	0.24	0.75	0.86
9	E	1038	1038	0.07	0.24	0.75	0.86
10	E	872	872	54.30	0.02	0.75	0.86
10	E	872	872	54.30	0.02	0.75	0.86
11	E	377	377	3.06	2.99	0.75	0.86
11	E	377	377	3.06	2.99	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.308
C3	0.000	0.000	-1.308
H4	0.000	0.926	1.871
H5	0.000	-0.926	1.871
H6	0.926	0.000	-1.871
H7	-0.926	0.000	-1.871

	C1	C2	C3	H4	H5	H6	H7
C1		1.3082	1.3082	2.0878	2.0878	2.0878	2.0878
C2	1.3082		2.6164	1.0836	1.0836	3.3116	3.3116
C3	1.3082	2.6164		3.3116	3.3116	1.0836	1.0836
H4	2.0878	1.0836	3.3116		1.8515	3.9651	3.9651
H5	2.0878	1.0836	3.3116	1.8515		3.9651	3.9651
H6	2.0878	3.3116	1.0836	3.9651	3.9651		1.8515
H7	2.0878	3.3116	1.0836	3.9651	3.9651	1.8515

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	121.312	C1	C2	H5	121.312
C1	C3	H6	121.312	C1	C3	H7	121.312
C2	C1	C3	180.000	H4	C2	H5	117.376
H6	C3	H7	117.376

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: B2PLYP=FULLultrafine/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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All results from a given calculation for CH2CCH2 (allene)

using model chemistry: B2PLYP=FULLultrafine/6-31G**

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)