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	hartrees
Energy at 0K	-116.433616
Energy at 298.15K
HF Energy	-115.904885
Nuclear repulsion energy	59.004528

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1081	1054
2	B₁	871	849
3	B₂	2013	1962
4	E	3225	3144
5	E	3225	3143
6	E	3143	3064
7	E	3141	3062
8	E	1488	1450
8	E	1438	1402
9	E	1017	992
9	E	1017	991
10	E	857	836
10	E	857	836
11	E	349	340
11	E	346	337

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.313
C3	0.000	0.000	-1.313
H4	0.000	0.929	1.870
H5	0.000	-0.929	1.870
H6	0.929	0.000	-1.870
H7	-0.929	0.000	-1.870

	C1	C2	C3	H4	H5	H6	H7
C1		1.3132	1.3132	2.0880	2.0880	2.0880	2.0880
C2	1.3132		2.6265	1.0833	1.0833	3.3158	3.3158
C3	1.3132	2.6265		3.3158	3.3158	1.0833	1.0833
H4	2.0880	1.0833	3.3158		1.8590	3.9636	3.9636
H5	2.0880	1.0833	3.3158	1.8590		3.9636	3.9636
H6	2.0880	3.3158	1.0833	3.9636	3.9636		1.8590
H7	2.0880	3.3158	1.0833	3.9636	3.9636	1.8590

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.905	C1	C2	H5	120.905
C1	C3	H6	120.905	C1	C3	H7	120.905
C2	C1	C3	180.000	H4	C2	H5	118.189
H6	C3	H7	118.189

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: CCSD(T)/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: CCSD(T)/cc-pVTZ

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)