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	hartrees
Energy at 0K	-116.557175
Energy at 298.15K	-116.559886
HF Energy	-116.409124
Nuclear repulsion energy	59.199153

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	3153	3153	0.00	289.00	0.07	0.13
2	A₁	1502	1502	0.00	22.24	0.66	0.79
3	A₁	1105	1105	0.00	46.02	0.29	0.45
4	B₁	895	895	0.00	9.66	0.75	0.86
5	B₂	3151	3151	4.69	59.67	0.75	0.86
6	B₂	2050	2050	55.22	0.07	0.75	0.86
7	B₂	1451	1451	3.21	0.00	0.75	0.86
8	E	3231	3231	3.43	105.78	0.75	0.86
8	E	3231	3231	3.43	105.78	0.75	0.86
9	E	1036	1036	0.16	0.22	0.75	0.86
9	E	1036	1036	0.16	0.22	0.75	0.86
10	E	860	860	61.36	0.41	0.75	0.86
10	E	860	860	61.36	0.41	0.75	0.86
11	E	366	366	6.16	2.07	0.75	0.86
11	E	366	366	6.16	2.07	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.306
C3	0.000	0.000	-1.306
H4	0.000	0.926	1.870
H5	0.000	-0.926	1.870
H6	0.926	0.000	-1.870
H7	-0.926	0.000	-1.870

	C1	C2	C3	H4	H5	H6	H7
C1		1.3062	1.3062	2.0872	2.0872	2.0872	2.0872
C2	1.3062		2.6124	1.0846	1.0846	3.3089	3.3089
C3	1.3062	2.6124		3.3089	3.3089	1.0846	1.0846
H4	2.0872	1.0846	3.3089		1.8525	3.9636	3.9636
H5	2.0872	1.0846	3.3089	1.8525		3.9636	3.9636
H6	2.0872	3.3089	1.0846	3.9636	3.9636		1.8525
H7	2.0872	3.3089	1.0846	3.9636	3.9636	1.8525

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	121.348	C1	C2	H5	121.348
C1	C3	H6	121.348	C1	C3	H7	121.348
C2	C1	C3	180.000	H4	C2	H5	117.304
H6	C3	H7	117.304

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for CH2CCH2 (allene)

using model chemistry: B2PLYP=FULL/6-311G*

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)