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	hartrees
Energy at 0K	-116.428517
Energy at 298.15K	-116.431238
HF Energy	-115.905999
Nuclear repulsion energy	59.442892

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	3202	3040	0.00	291.63	0.06	0.12
2	A₁	1501	1425	0.00	19.09	0.70	0.82
3	A₁	1106	1050	0.00	32.87	0.24	0.39
4	B₁	902	856	0.00	4.97	0.75	0.86
5	B₂	3201	3039	0.06	46.96	0.75	0.86
6	B₂	2054	1950	47.84	0.03	0.75	0.86
7	B₂	1450	1376	3.55	0.01	0.75	0.86
8	E	3275	3109	0.04	84.64	0.75	0.86
8	E	3275	3109	0.04	84.64	0.75	0.86
9	E	1024	972	1.19	0.07	0.75	0.86
9	E	1024	972	1.19	0.07	0.75	0.86
10	E	881	836	54.91	0.61	0.75	0.86
10	E	881	836	54.91	0.61	0.75	0.86
11	E	361	343	5.77	1.35	0.75	0.86
11	E	361	343	5.77	1.35	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.303
C3	0.000	0.000	-1.303
H4	0.000	0.925	1.854
H5	0.000	-0.925	1.854
H6	0.925	0.000	-1.854
H7	-0.925	0.000	-1.854

	C1	C2	C3	H4	H5	H6	H7
C1		1.3032	1.3032	2.0718	2.0718	2.0718	2.0718
C2	1.3032		2.6063	1.0767	1.0767	3.2897	3.2897
C3	1.3032	2.6063		3.2897	3.2897	1.0767	1.0767
H4	2.0718	1.0767	3.2897		1.8505	3.9316	3.9316
H5	2.0718	1.0767	3.2897	1.8505		3.9316	3.9316
H6	2.0718	3.2897	1.0767	3.9316	3.9316		1.8505
H7	2.0718	3.2897	1.0767	3.9316	3.9316	1.8505

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.755	C1	C2	H5	120.755
C1	C3	H6	120.755	C1	C3	H7	120.755
C2	C1	C3	180.000	H4	C2	H5	118.490
H6	C3	H7	118.490

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: MP2=FULL/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: MP2=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)