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	hartrees
Energy at 0K	-116.084019
Energy at 298.15K	-116.086709
HF Energy	-115.818749
Nuclear repulsion energy	58.448254

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	3172	3035	0.00	256.18	0.04	0.08
2	A₁	1547	1480	0.00	40.58	0.56	0.72
3	A₁	1094	1046	0.00	21.25	0.29	0.45
4	B₁	919	879	0.00	26.29	0.75	0.86
5	B₂	3174	3037	4.46	47.89	0.75	0.86
6	B₂	2027	1939	23.03	0.23	0.75	0.86
7	B₂	1513	1448	1.85	0.34	0.75	0.86
8	E	3255	3115	7.28	93.60	0.75	0.86
8	E	3255	3115	7.28	93.60	0.75	0.86
9	E	1088	1041	0.07	0.30	0.75	0.86
9	E	1088	1041	0.07	0.30	0.75	0.86
10	E	936	896	69.38	0.01	0.75	0.86
10	E	936	896	69.38	0.01	0.75	0.86
11	E	330	315	4.17	3.14	0.75	0.86
11	E	330	315	4.17	3.14	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.327
C3	0.000	0.000	-1.327
H4	0.000	0.926	1.900
H5	0.000	-0.926	1.900
H6	0.926	0.000	-1.900
H7	-0.926	0.000	-1.900

	C1	C2	C3	H4	H5	H6	H7
C1		1.3267	1.3267	2.1136	2.1136	2.1136	2.1136
C2	1.3267		2.6533	1.0893	1.0893	3.3567	3.3567
C3	1.3267	2.6533		3.3567	3.3567	1.0893	1.0893
H4	2.1136	1.0893	3.3567		1.8529	4.0190	4.0190
H5	2.1136	1.0893	3.3567	1.8529		4.0190	4.0190
H6	2.1136	3.3567	1.0893	4.0190	4.0190		1.8529
H7	2.1136	3.3567	1.0893	4.0190	4.0190	1.8529

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	121.739	C1	C2	H5	121.739
C1	C3	H6	121.739	C1	C3	H7	121.739
C2	C1	C3	180.000	H4	C2	H5	116.521
H6	C3	H7	116.521

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)