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	hartrees
Energy at 0K	-116.350556
Energy at 298.15K	-116.353305
HF Energy	-115.876610
Nuclear repulsion energy	59.360224

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	3217	3023	0.00	245.08	0.05	0.10
2	A₁	1499	1409	0.00	24.30	0.60	0.75
3	A₁	1110	1044	0.00	29.80	0.27	0.43
4	B₁	908	854	0.00	13.00	0.75	0.86
5	B₂	3217	3024	0.04	39.55	0.75	0.86
6	B₂	2083	1958	29.96	0.03	0.75	0.86
7	B₂	1446	1359	2.69	0.28	0.75	0.86
8	E	3308	3109	0.06	80.73	0.75	0.86
8	E	3308	3109	0.06	80.73	0.75	0.86
9	E	1031	969	0.21	0.09	0.75	0.86
9	E	1031	969	0.21	0.09	0.75	0.86
10	E	869	817	50.36	0.02	0.75	0.86
10	E	869	817	50.36	0.02	0.75	0.86
11	E	380	357	3.90	1.86	0.75	0.86
11	E	380	357	3.90	1.86	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.303
C3	0.000	0.000	-1.303
H4	0.000	0.925	1.862
H5	0.000	-0.925	1.862
H6	0.925	0.000	-1.862
H7	-0.925	0.000	-1.862

	C1	C2	C3	H4	H5	H6	H7
C1		1.3031	1.3031	2.0794	2.0794	2.0794	2.0794
C2	1.3031		2.6063	1.0812	1.0812	3.2978	3.2978
C3	1.3031	2.6063		3.2978	3.2978	1.0812	1.0812
H4	2.0794	1.0812	3.2978		1.8510	3.9476	3.9476
H5	2.0794	1.0812	3.2978	1.8510		3.9476	3.9476
H6	2.0794	3.2978	1.0812	3.9476	3.9476		1.8510
H7	2.0794	3.2978	1.0812	3.9476	3.9476	1.8510

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	121.132	C1	C2	H5	121.132
C1	C3	H6	121.132	C1	C3	H7	121.132
C2	C1	C3	180.000	H4	C2	H5	117.735
H6	C3	H7	117.735

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: MP2=FULL/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)