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	hartrees
Energy at 0K	-116.603065
Energy at 298.15K	-116.605812
HF Energy	-116.603065
Nuclear repulsion energy	59.168095

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	3180	3028	0.00	324.05	0.07	0.13
2	A₁	1490	1419	0.00	19.37	0.74	0.85
3	A₁	1123	1069	0.00	63.05	0.24	0.38
4	B₁	879	837	0.00	2.54	0.75	0.86
5	B₂	3177	3026	0.00	56.21	0.75	0.86
6	B₂	2090	1990	83.48	7.76	0.75	0.86
7	B₂	1424	1356	3.43	0.05	0.75	0.86
8	E	3263	3107	0.41	108.22	0.75	0.86
8	E	3263	3107	0.41	108.22	0.75	0.86
9	E	1017	969	0.16	0.01	0.75	0.86
9	E	1017	969	0.16	0.01	0.75	0.86
10	E	888	846	70.51	1.32	0.75	0.86
10	E	888	846	70.51	1.32	0.75	0.86
11	E	381	363	9.16	0.91	0.75	0.86
11	E	381	363	9.16	0.91	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.307
C3	0.000	0.000	-1.307
H4	0.000	0.931	1.865
H5	0.000	-0.931	1.865
H6	0.931	0.000	-1.865
H7	-0.931	0.000	-1.865

	C1	C2	C3	H4	H5	H6	H7
C1		1.3072	1.3072	2.0849	2.0849	2.0849	2.0849
C2	1.3072		2.6144	1.0857	1.0857	3.3064	3.3064
C3	1.3072	2.6144		3.3064	3.3064	1.0857	1.0857
H4	2.0849	1.0857	3.3064		1.8623	3.9564	3.9564
H5	2.0849	1.0857	3.3064	1.8623		3.9564	3.9564
H6	2.0849	3.3064	1.0857	3.9564	3.9564		1.8623
H7	2.0849	3.3064	1.0857	3.9564	3.9564	1.8623

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.944	C1	C2	H5	120.944
C1	C3	H6	120.944	C1	C3	H7	120.944
C2	C1	C3	180.000	H4	C2	H5	118.111
H6	C3	H7	118.111

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: M06-2X/6-31+G**

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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Number	Element	Mulliken
1	C	0.127
2	C	-0.414
3	C	-0.414
4	H	0.175
5	H	0.175
6	H	0.175
7	H	0.175

<r²>	49.317
(<r²>)^1/2	7.023

All results from a given calculation for CH2CCH2 (allene)

using model chemistry: M06-2X/6-31+G**

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)