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	hartrees
Energy at 0K	-116.377375
Energy at 298.15K	-116.380073
HF Energy	-115.903352
Nuclear repulsion energy	59.205938

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	3174	2994	0.00	320.75	0.07	0.12
2	A₁	1483	1399	0.00	18.34	0.75	0.86
3	A₁	1093	1031	0.00	42.87	0.14	0.24
4	B₁	893	843	0.00	0.34	0.75	0.86
5	B₂	3174	2994	0.11	30.87	0.75	0.86
6	B₂	2033	1918	53.15	3.97	0.75	0.86
7	B₂	1432	1351	3.31	0.26	0.75	0.86
8	E	3267	3082	0.00	84.31	0.75	0.86
8	E	3267	3082	0.00	84.31	0.75	0.86
9	E	1014	957	2.09	0.01	0.75	0.86
9	E	1014	957	2.09	0.01	0.75	0.86
10	E	858	810	53.95	2.34	0.75	0.86
10	E	858	810	53.95	2.34	0.75	0.86
11	E	361	341	7.04	0.45	0.75	0.86
11	E	361	341	7.04	0.45	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.308
C3	0.000	0.000	-1.308
H4	0.000	0.929	1.862
H5	0.000	-0.929	1.862
H6	0.929	0.000	-1.862
H7	-0.929	0.000	-1.862

	C1	C2	C3	H4	H5	H6	H7
C1		1.3080	1.3080	2.0810	2.0810	2.0810	2.0810
C2	1.3080		2.6160	1.0817	1.0817	3.3035	3.3035
C3	1.3080	2.6160		3.3035	3.3035	1.0817	1.0817
H4	2.0810	1.0817	3.3035		1.8578	3.9493	3.9493
H5	2.0810	1.0817	3.3035	1.8578		3.9493	3.9493
H6	2.0810	3.3035	1.0817	3.9493	3.9493		1.8578
H7	2.0810	3.3035	1.0817	3.9493	3.9493	1.8578

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.821	C1	C2	H5	120.821
C1	C3	H6	120.821	C1	C3	H7	120.821
C2	C1	C3	180.000	H4	C2	H5	118.357
H6	C3	H7	118.357

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: MP2/6-311+G(3df,2p)

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: MP2/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)