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	hartrees
Energy at 0K	-116.513565
Energy at 298.15K	-116.516305
HF Energy	-116.383701
Nuclear repulsion energy	59.100633

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	3184	3020	0.00	278.84	0.05	0.10
2	A₁	1524	1445	0.00	26.27	0.61	0.76
3	A₁	1121	1063	0.00	44.50	0.31	0.47
4	B₁	898	851	0.00	21.17	0.75	0.86
5	B₂	3183	3018	3.55	48.73	0.75	0.86
6	B₂	2073	1966	42.22	0.05	0.75	0.86
7	B₂	1472	1396	1.54	0.35	0.75	0.86
8	E	3259	3091	3.38	102.16	0.75	0.86
8	E	3259	3091	3.38	102.16	0.75	0.86
9	E	1047	993	0.01	0.25	0.75	0.86
9	E	1047	993	0.01	0.25	0.75	0.86
10	E	874	829	57.72	0.02	0.75	0.86
10	E	874	829	57.72	0.02	0.75	0.86
11	E	379	360	3.11	3.03	0.75	0.86
11	E	379	360	3.11	3.03	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.309
C3	0.000	0.000	-1.309
H4	0.000	0.926	1.875
H5	0.000	-0.926	1.875
H6	0.926	0.000	-1.875
H7	-0.926	0.000	-1.875

	C1	C2	C3	H4	H5	H6	H7
C1		1.3085	1.3085	2.0915	2.0915	2.0915	2.0915
C2	1.3085		2.6171	1.0857	1.0857	3.3158	3.3158
C3	1.3085	2.6171		3.3158	3.3158	1.0857	1.0857
H4	2.0915	1.0857	3.3158		1.8522	3.9726	3.9726
H5	2.0915	1.0857	3.3158	1.8522		3.9726	3.9726
H6	2.0915	3.3158	1.0857	3.9726	3.9726		1.8522
H7	2.0915	3.3158	1.0857	3.9726	3.9726	1.8522

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	121.465	C1	C2	H5	121.465
C1	C3	H6	121.465	C1	C3	H7	121.465
C2	C1	C3	180.000	H4	C2	H5	117.071
H6	C3	H7	117.071

All results from a given calculation for CH₂CCH₂ (allene)

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

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)