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	hartrees
Energy at 0K	-116.629136
Energy at 298.15K	-116.631770
HF Energy	-116.629136
Nuclear repulsion energy	58.891684

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	3037	3029	0.00	325.53	0.08	0.14
2	A₁	1453	1449	0.00	26.05	0.63	0.78
3	A₁	1080	1077	0.00	48.90	0.30	0.46
4	B₁	866	864	0.00	10.97	0.75	0.86
5	B₂	3032	3025	11.17	63.59	0.75	0.86
6	B₂	1988	1983	57.77	0.13	0.75	0.86
7	B₂	1403	1400	3.51	0.00	0.75	0.86
8	E	3099	3091	7.02	122.79	0.75	0.86
8	E	3099	3091	7.02	122.79	0.75	0.86
9	E	1003	1000	0.09	0.18	0.75	0.86
9	E	1003	1000	0.09	0.18	0.75	0.86
10	E	815	813	57.91	0.16	0.75	0.86
10	E	815	813	57.91	0.16	0.75	0.86
11	E	355	354	5.17	1.99	0.75	0.86
11	E	355	354	5.17	1.99	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.311
C3	0.000	0.000	-1.311
H4	0.000	0.931	1.885
H5	0.000	-0.931	1.885
H6	0.931	0.000	-1.885
H7	-0.931	0.000	-1.885

	C1	C2	C3	H4	H5	H6	H7
C1		1.3111	1.3111	2.1026	2.1026	2.1026	2.1026
C2	1.3111		2.6222	1.0937	1.0937	3.3292	3.3292
C3	1.3111	2.6222		3.3292	3.3292	1.0937	1.0937
H4	2.1026	1.0937	3.3292		1.8615	3.9939	3.9939
H5	2.1026	1.0937	3.3292	1.8615		3.9939	3.9939
H6	2.1026	3.3292	1.0937	3.9939	3.9939		1.8615
H7	2.1026	3.3292	1.0937	3.9939	3.9939	1.8615

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	121.674	C1	C2	H5	121.674
C1	C3	H6	121.674	C1	C3	H7	121.674
C2	C1	C3	180.000	H4	C2	H5	116.652
H6	C3	H7	116.652

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: BLYP/6-311G*

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	0.168
2	C	-0.503
3	C	-0.503
4	H	0.210
5	H	0.210
6	H	0.210
7	H	0.210

<r²>	49.707
(<r²>)^1/2	7.050

All results from a given calculation for CH2CCH2 (allene)

using model chemistry: BLYP/6-311G*

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)