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	hartrees
Energy at 0K	-115.836965
Energy at 298.15K	-115.839711
HF Energy	-115.745035
Nuclear repulsion energy	59.133397

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	3166	3014	0.00	255.09	0.05	0.10
2	A₁	1549	1475	0.00	34.00	0.61	0.76
3	A₁	1119	1065	0.00	38.86	0.33	0.49
4	B₁	915	871	0.00	28.52	0.75	0.86
5	B₂	3165	3013	1.36	41.55	0.75	0.86
6	B₂	2065	1966	37.77	0.29	0.75	0.86
7	B₂	1512	1440	3.52	0.75	0.75	0.86
8	E	3236	3081	3.15	98.92	0.75	0.86
8	E	3236	3081	3.15	98.92	0.75	0.86
9	E	1087	1035	0.86	0.80	0.75	0.86
9	E	1087	1035	0.86	0.80	0.75	0.86
10	E	922	878	72.90	0.04	0.75	0.86
10	E	922	878	72.90	0.04	0.75	0.86
11	E	354	337	5.27	3.72	0.75	0.86
11	E	354	337	5.27	3.72	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	0.924	1.877
H5	0.000	-0.924	1.877
H6	0.924	0.000	-1.877
H7	-0.924	0.000	-1.877

	C1	C2	C3	H4	H5	H6	H7
C1		1.3077	1.3077	2.0916	2.0916	2.0916	2.0916
C2	1.3077		2.6154	1.0849	1.0849	3.3156	3.3156
C3	1.3077	2.6154		3.3156	3.3156	1.0849	1.0849
H4	2.0916	1.0849	3.3156		1.8477	3.9740	3.9740
H5	2.0916	1.0849	3.3156	1.8477		3.9740	3.9740
H6	2.0916	3.3156	1.0849	3.9740	3.9740		1.8477
H7	2.0916	3.3156	1.0849	3.9740	3.9740	1.8477

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	121.621	C1	C2	H5	121.621
C1	C3	H6	121.621	C1	C3	H7	121.621
C2	C1	C3	180.000	H4	C2	H5	116.757
H6	C3	H7	116.757

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: B2PLYP=FULL/3-21G

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: B2PLYP=FULL/3-21G

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)