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	hartrees
Energy at 0K	-116.419974
Energy at 298.15K	-116.422678
HF Energy	-115.913236
Nuclear repulsion energy	59.306421

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	3016	0.00	320.20	0.06	0.11
2	A₁	1485	1408	0.00	17.43	0.71	0.83
3	A₁	1098	1041	0.00	36.74	0.20	0.33
4	B₁	895	849	0.00	2.41	0.75	0.86
5	B₂	3179	3015	0.06	36.24	0.75	0.86
6	B₂	2039	1934	50.39	0.56	0.75	0.86
7	B₂	1433	1359	3.43	0.02	0.75	0.86
8	E	3273	3104	0.00	84.73	0.75	0.86
8	E	3273	3104	0.00	84.73	0.75	0.86
9	E	1015	963	1.72	0.05	0.75	0.86
9	E	1015	963	1.72	0.05	0.75	0.86
10	E	865	821	53.07	1.26	0.75	0.86
10	E	865	821	53.07	1.26	0.75	0.86
11	E	361	343	6.48	0.92	0.75	0.86
11	E	361	343	6.48	0.92	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	0.928	1.858
H5	0.000	-0.928	1.858
H6	0.928	0.000	-1.858
H7	-0.928	0.000	-1.858

	C1	C2	C3	H4	H5	H6	H7
C1		1.3058	1.3058	2.0770	2.0770	2.0770	2.0770
C2	1.3058		2.6116	1.0800	1.0800	3.2972	3.2972
C3	1.3058	2.6116		3.2972	3.2972	1.0800	1.0800
H4	2.0770	1.0800	3.2972		1.8561	3.9411	3.9411
H5	2.0770	1.0800	3.2972	1.8561		3.9411	3.9411
H6	2.0770	3.2972	1.0800	3.9411	3.9411		1.8561
H7	2.0770	3.2972	1.0800	3.9411	3.9411	1.8561

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.757	C1	C2	H5	120.757
C1	C3	H6	120.757	C1	C3	H7	120.757
C2	C1	C3	180.000	H4	C2	H5	118.486
H6	C3	H7	118.486

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: MP2/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/cc-pVQZ

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)