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	hartrees
Energy at 0K	-116.503929
Energy at 298.15K	-116.506650
HF Energy	-115.913546
Nuclear repulsion energy	59.454783

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	3191	3054	0.00	318.91	0.06	0.11
2	A₁	1490	1427	0.00	17.06	0.71	0.83
3	A₁	1105	1058	0.00	37.12	0.20	0.34
4	B₁	900	861	0.00	2.35	0.75	0.86
5	B₂	3190	3053	0.02	35.68	0.75	0.86
6	B₂	2052	1964	53.11	0.55	0.75	0.86
7	B₂	1437	1376	3.88	0.02	0.75	0.86
8	E	3283	3142	0.00	84.20	0.75	0.86
8	E	3283	3142	0.00	84.20	0.75	0.86
9	E	1019	975	1.35	0.07	0.75	0.86
9	E	1019	975	1.35	0.07	0.75	0.86
10	E	876	838	53.75	1.30	0.75	0.86
10	E	876	838	53.75	1.30	0.75	0.86
11	E	365	349	6.62	0.90	0.75	0.86
11	E	365	349	6.62	0.90	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.302
C3	0.000	0.000	-1.302
H4	0.000	0.926	1.854
H5	0.000	-0.926	1.854
H6	0.926	0.000	-1.854
H7	-0.926	0.000	-1.854

	C1	C2	C3	H4	H5	H6	H7
C1		1.3024	1.3024	2.0722	2.0722	2.0722	2.0722
C2	1.3024		2.6047	1.0776	1.0776	3.2892	3.2892
C3	1.3024	2.6047		3.2892	3.2892	1.0776	1.0776
H4	2.0722	1.0776	3.2892		1.8515	3.9322	3.9322
H5	2.0722	1.0776	3.2892	1.8515		3.9322	3.9322
H6	2.0722	3.2892	1.0776	3.9322	3.9322		1.8515
H7	2.0722	3.2892	1.0776	3.9322	3.9322	1.8515

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.787	C1	C2	H5	120.787
C1	C3	H6	120.787	C1	C3	H7	120.787
C2	C1	C3	180.000	H4	C2	H5	118.427
H6	C3	H7	118.427

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: MP2=FULL/cc-pVQZ

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-pVQZ

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)