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	hartrees
Energy at 0K	-115.482613
Energy at 298.15K	-115.485309
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	3018	0.00	227.52	0.05	0.09
2	A₁	1564	1488	0.00	39.51	0.59	0.74
3	A₁	1101	1047	0.00	20.24	0.31	0.48
4	B₁	930	885	0.00	29.29	0.75	0.86
5	B₂	3174	3019	1.12	40.35	0.75	0.86
6	B₂	2031	1933	20.53	0.34	0.75	0.86
7	B₂	1533	1458	2.05	0.80	0.75	0.86
8	E	3247	3089	3.33	88.29	0.75	0.86
8	E	3247	3089	3.33	88.29	0.75	0.86
9	E	1106	1052	0.54	0.52	0.75	0.86
9	E	1106	1052	0.54	0.52	0.75	0.86
10	E	937	891	69.10	0.01	0.75	0.86
10	E	937	891	69.10	0.01	0.75	0.86
11	E	328	312	5.08	3.29	0.75	0.86
11	E	328	312	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)