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	hartrees
Energy at 0K	-115.482613
Energy at 298.15K	-115.485315
HF Energy	-115.217797
Nuclear repulsion energy	58.832894

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	3172	3028	0.00	227.52	0.05	0.09
2	A₁	1564	1493	0.00	39.51	0.59	0.74
3	A₁	1101	1051	0.00	20.24	0.31	0.48
4	B₁	930	888	0.00	29.29	0.75	0.86
5	B₂	3174	3029	1.12	40.35	0.75	0.86
6	B₂	2031	1939	20.53	0.34	0.75	0.86
7	B₂	1533	1463	2.05	0.80	0.75	0.86
8	E	3247	3099	3.33	88.29	0.75	0.86
8	E	3247	3099	3.33	88.29	0.75	0.86
9	E	1106	1056	0.54	0.52	0.75	0.86
9	E	1106	1056	0.54	0.52	0.75	0.86
10	E	937	894	69.10	0.01	0.75	0.86
10	E	937	894	69.10	0.01	0.75	0.86
11	E	328	313	5.08	3.29	0.75	0.86
11	E	328	313	5.08	3.29	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.316
C3	0.000	0.000	-1.316
H4	0.000	0.924	1.887
H5	0.000	-0.924	1.887
H6	0.924	0.000	-1.887
H7	-0.924	0.000	-1.887

	C1	C2	C3	H4	H5	H6	H7
C1		1.3161	1.3161	2.1013	2.1013	2.1013	2.1013
C2	1.3161		2.6322	1.0865	1.0865	3.3338	3.3338
C3	1.3161	2.6322		3.3338	3.3338	1.0865	1.0865
H4	2.1013	1.0865	3.3338		1.8488	3.9940	3.9940
H5	2.1013	1.0865	3.3338	1.8488		3.9940	3.9940
H6	2.1013	3.3338	1.0865	3.9940	3.9940		1.8488
H7	2.1013	3.3338	1.0865	3.9940	3.9940	1.8488

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	121.698	C1	C2	H5	121.698
C1	C3	H6	121.698	C1	C3	H7	121.698
C2	C1	C3	180.000	H4	C2	H5	116.603
H6	C3	H7	116.603

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)