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	hartrees
Energy at 0K	-116.332072
Energy at 298.15K	-116.334793
HF Energy	-115.882887
Nuclear repulsion energy	58.548564

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3154	3154	0.00
2	A₁	1471	1471	0.00
3	A₁	1080	1080	0.00
4	B₁	882	882	0.00
5	B₂	3158	3158	0.21
6	B₂	2023	2023	44.84
7	B₂	1412	1412	2.37
8	E	3263	3263	0.01
8	E	3263	3263	0.01
9	E	1013	1013	3.49
9	E	1013	1013	3.49
10	E	925	925	49.91
10	E	925	925	49.91
11	E	354	354	8.14
11	E	354	354	8.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.323
C3	0.000	0.000	-1.323
H4	0.000	0.943	1.878
H5	0.000	-0.943	1.878
H6	0.943	0.000	-1.878
H7	-0.943	0.000	-1.878

	C1	C2	C3	H4	H5	H6	H7
C1		1.3230	1.3230	2.1013	2.1013	2.1013	2.1013
C2	1.3230		2.6461	1.0940	1.0940	3.3370	3.3370
C3	1.3230	2.6461		3.3370	3.3370	1.0940	1.0940
H4	2.1013	1.0940	3.3370		1.8857	3.9856	3.9856
H5	2.1013	1.0940	3.3370	1.8857		3.9856	3.9856
H6	2.1013	3.3370	1.0940	3.9856	3.9856		1.8857
H7	2.1013	3.3370	1.0940	3.9856	3.9856	1.8857

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.480	C1	C2	H5	120.480
C1	C3	H6	120.480	C1	C3	H7	120.480
C2	C1	C3	180.000	H4	C2	H5	119.040
H6	C3	H7	119.040

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: MP2=FULL/Sadlej_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/Sadlej_pVTZ

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)