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	hartrees
Energy at 0K	-116.119108
Energy at 298.15K
HF Energy	-115.817770
Nuclear repulsion energy	58.268388

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3122	3009	0.00
2	A₁	1533	1477	0.00
3	A₁	1081	1042	0.00
4	B₁	882	850	0.00
5	B₂	3122	3009	9.26
6	B₂	2011	1938	18.57
7	B₂	1496	1442	1.96
8	E	3197	3081	11.12
8	E	3197	3081	11.12
9	E	1077	1038	0.01
9	E	1077	1038	0.01
10	E	924	890	59.60
10	E	924	890	59.60
11	E	322	310	4.01
11	E	322	310	4.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.331
C3	0.000	0.000	-1.331
H4	0.000	0.929	1.906
H5	0.000	-0.929	1.906
H6	0.929	0.000	-1.906
H7	-0.929	0.000	-1.906

	C1	C2	C3	H4	H5	H6	H7
C1		1.3305	1.3305	2.1208	2.1208	2.1208	2.1208
C2	1.3305		2.6611	1.0930	1.0930	3.3677	3.3677
C3	1.3305	2.6611		3.3677	3.3677	1.0930	1.0930
H4	2.1208	1.0930	3.3677		1.8578	4.0329	4.0329
H5	2.1208	1.0930	3.3677	1.8578		4.0329	4.0329
H6	2.1208	3.3677	1.0930	4.0329	4.0329		1.8578
H7	2.1208	3.3677	1.0930	4.0329	4.0329	1.8578

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	121.800	C1	C2	H5	121.800
C1	C3	H6	121.800	C1	C3	H7	121.800
C2	C1	C3	180.000	H4	C2	H5	116.401
H6	C3	H7	116.401

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: QCISD/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: QCISD/6-31G

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)