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	hartrees
Energy at 0K	-116.314342
Energy at 298.15K	-116.316998
HF Energy	-115.902020
Nuclear repulsion energy	59.204533

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	3192	3026	0.00	293.07	0.06	0.12
2	A₁	1504	1426	0.00	24.18	0.70	0.82
3	A₁	1102	1045	0.00	33.54	0.23	0.37
4	B₁	903	856	0.00	2.66	0.75	0.86
5	B₂	3192	3026	0.93	53.28	0.75	0.86
6	B₂	2047	1940	43.72	1.70	0.75	0.86
7	B₂	1456	1380	2.53	0.03	0.75	0.86
8	E	3283	3112	0.50	86.00	0.75	0.86
8	E	3283	3112	0.50	86.00	0.75	0.86
9	E	1018	965	1.22	0.02	0.75	0.86
9	E	1018	965	1.22	0.02	0.75	0.86
10	E	830	787	61.20	0.18	0.75	0.86
10	E	830	787	61.20	0.18	0.75	0.86
11	E	346	328	6.15	0.97	0.75	0.86
11	E	346	328	6.15	0.97	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.308
C3	0.000	0.000	-1.308
H4	0.000	0.928	1.864
H5	0.000	-0.928	1.864
H6	0.928	0.000	-1.864
H7	-0.928	0.000	-1.864

	C1	C2	C3	H4	H5	H6	H7
C1		1.3077	1.3077	2.0823	2.0823	2.0823	2.0823
C2	1.3077		2.6154	1.0821	1.0821	3.3048	3.3048
C3	1.3077	2.6154		3.3048	3.3048	1.0821	1.0821
H4	2.0823	1.0821	3.3048		1.8561	3.9524	3.9524
H5	2.0823	1.0821	3.3048	1.8561		3.9524	3.9524
H6	2.0823	3.3048	1.0821	3.9524	3.9524		1.8561
H7	2.0823	3.3048	1.0821	3.9524	3.9524	1.8561

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.942	C1	C2	H5	120.942
C1	C3	H6	120.942	C1	C3	H7	120.942
C2	C1	C3	180.000	H4	C2	H5	118.115
H6	C3	H7	118.115

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)