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	hartrees
Energy at 0K	-116.423526
Energy at 298.15K	-116.426225
HF Energy	-115.913491
Nuclear repulsion energy	59.285528

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	3177	3017	0.00	340.79	0.06	0.11
2	A₁	1483	1408	0.00	17.65	0.74	0.85
3	A₁	1096	1041	0.00	46.37	0.12	0.21
4	B₁	893	848	0.00	0.63	0.75	0.86
5	B₂	3176	3016	0.06	29.99	0.75	0.86
6	B₂	2035	1933	54.62	2.80	0.75	0.86
7	B₂	1431	1359	3.35	0.45	0.75	0.86
8	E	3270	3105	0.00	85.34	0.75	0.86
8	E	3270	3105	0.00	85.34	0.75	0.86
9	E	1015	964	2.18	0.05	0.75	0.86
9	E	1015	964	2.18	0.05	0.75	0.86
10	E	863	819	52.36	1.69	0.75	0.86
10	E	863	819	52.36	1.69	0.75	0.86
11	E	360	342	6.96	0.42	0.75	0.86
11	E	360	342	6.96	0.42	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	1.859
H5	0.000	-0.928	1.859
H6	0.928	0.000	-1.859
H7	-0.928	0.000	-1.859

	C1	C2	C3	H4	H5	H6	H7
C1		1.3063	1.3063	2.0776	2.0776	2.0776	2.0776
C2	1.3063		2.6126	1.0803	1.0803	3.2983	3.2983
C3	1.3063	2.6126		3.2983	3.2983	1.0803	1.0803
H4	2.0776	1.0803	3.2983		1.8569	3.9424	3.9424
H5	2.0776	1.0803	3.2983	1.8569		3.9424	3.9424
H6	2.0776	3.2983	1.0803	3.9424	3.9424		1.8569
H7	2.0776	3.2983	1.0803	3.9424	3.9424	1.8569

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.751	C1	C2	H5	120.751
C1	C3	H6	120.751	C1	C3	H7	120.751
C2	C1	C3	180.000	H4	C2	H5	118.498
H6	C3	H7	118.498

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: MP2/aug-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/aug-cc-pVQZ

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)