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	hartrees
Energy at 0K	-116.417087
Energy at 298.15K
HF Energy	-115.906603
Nuclear repulsion energy	59.170000

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3161	3042	0.00
2	A₁	1501	1444	0.00
3	A₁	1098	1057	0.00
4	B₁	882	848	0.00
5	B₂	3160	3041	1.50
6	B₂	2044	1967	59.60
7	B₂	1446	1392	2.46
8	E	3243	3121	0.68
8	E	3243	3121	0.68
9	E	1029	990	2.87
9	E	1029	990	2.87
10	E	877	844	50.03
10	E	877	844	50.03
11	E	356	343	6.59
11	E	356	343	6.59

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	0.928	1.864
H5	0.000	-0.928	1.864
H6	0.928	0.000	-1.864
H7	-0.928	0.000	-1.864

	C1	C2	C3	H4	H5	H6	H7
C1		1.3088	1.3088	2.0828	2.0828	2.0828	2.0828
C2	1.3088		2.6177	1.0820	1.0820	3.3063	3.3063
C3	1.3088	2.6177		3.3063	3.3063	1.0820	1.0820
H4	2.0828	1.0820	3.3063		1.8569	3.9533	3.9533
H5	2.0828	1.0820	3.3063	1.8569		3.9533	3.9533
H6	2.0828	3.3063	1.0820	3.9533	3.9533		1.8569
H7	2.0828	3.3063	1.0820	3.9533	3.9533	1.8569

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.897	C1	C2	H5	120.897
C1	C3	H6	120.897	C1	C3	H7	120.897
C2	C1	C3	180.000	H4	C2	H5	118.206
H6	C3	H7	118.206

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: QCISD/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)