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	hartrees
Energy at 0K	-116.509484
Energy at 298.15K	-116.512208
HF Energy	-115.913848
Nuclear repulsion energy	59.455461

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	3188	3049	0.00	339.65	0.06	0.11
2	A₁	1490	1425	0.00	17.27	0.75	0.85
3	A₁	1105	1057	0.00	46.87	0.12	0.21
4	B₁	899	859	0.00	0.62	0.75	0.86
5	B₂	3187	3049	0.02	29.66	0.75	0.86
6	B₂	2054	1965	57.74	2.74	0.75	0.86
7	B₂	1436	1374	3.77	0.45	0.75	0.86
8	E	3282	3139	0.01	84.99	0.75	0.86
8	E	3282	3139	0.01	84.99	0.75	0.86
9	E	1018	973	1.76	0.07	0.75	0.86
9	E	1018	973	1.76	0.07	0.75	0.86
10	E	875	837	53.05	1.71	0.75	0.86
10	E	875	837	53.05	1.71	0.75	0.86
11	E	367	351	7.11	0.41	0.75	0.86
11	E	367	351	7.11	0.41	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.302
C3	0.000	0.000	-1.302
H4	0.000	0.926	1.854
H5	0.000	-0.926	1.854
H6	0.926	0.000	-1.854
H7	-0.926	0.000	-1.854

	C1	C2	C3	H4	H5	H6	H7
C1		1.3021	1.3021	2.0723	2.0723	2.0723	2.0723
C2	1.3021		2.6041	1.0782	1.0782	3.2890	3.2890
C3	1.3021	2.6041		3.2890	3.2890	1.0782	1.0782
H4	2.0723	1.0782	3.2890		1.8528	3.9322	3.9322
H5	2.0723	1.0782	3.2890	1.8528		3.9322	3.9322
H6	2.0723	3.2890	1.0782	3.9322	3.9322		1.8528
H7	2.0723	3.2890	1.0782	3.9322	3.9322	1.8528

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.774	C1	C2	H5	120.774
C1	C3	H6	120.774	C1	C3	H7	120.774
C2	C1	C3	180.000	H4	C2	H5	118.451
H6	C3	H7	118.451

All results from a given calculation for CH₂CCH₂ (allene)

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

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)