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	hartrees
Energy at 0K	-115.516789
Energy at 298.15K
HF Energy	-115.216886
Nuclear repulsion energy	58.640431

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3117	3021	0.00
2	A₁	1548	1500	0.00
3	A₁	1086	1053	0.00
4	B₁	894	866	0.00
5	B₂	3116	3020	4.52
6	B₂	2013	1951	15.75
7	B₂	1514	1467	2.06
8	E	3185	3087	6.03
8	E	3185	3087	6.03
9	E	1094	1060	0.14
9	E	1094	1060	0.14
10	E	923	894	59.70
10	E	923	894	59.70
11	E	324	314	4.90
11	E	324	314	4.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.320
C3	0.000	0.000	-1.320
H4	0.000	0.927	1.894
H5	0.000	-0.927	1.894
H6	0.927	0.000	-1.894
H7	-0.927	0.000	-1.894

	C1	C2	C3	H4	H5	H6	H7
C1		1.3202	1.3202	2.1085	2.1085	2.1085	2.1085
C2	1.3202		2.6405	1.0904	1.0904	3.3450	3.3450
C3	1.3202	2.6405		3.3450	3.3450	1.0904	1.0904
H4	2.1085	1.0904	3.3450		1.8548	4.0079	4.0079
H5	2.1085	1.0904	3.3450	1.8548		4.0079	4.0079
H6	2.1085	3.3450	1.0904	4.0079	4.0079		1.8548
H7	2.1085	3.3450	1.0904	4.0079	4.0079	1.8548

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	121.727	C1	C2	H5	121.727
C1	C3	H6	121.727	C1	C3	H7	121.727
C2	C1	C3	180.000	H4	C2	H5	116.545
H6	C3	H7	116.545

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: QCISD/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: QCISD/3-21G

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)