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	hartrees
Energy at 0K	-116.444039
Energy at 298.15K	-116.439282
HF Energy	-115.861101
Nuclear repulsion energy	59.685666

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	3330	3138	0.00	272.36	0.05	0.09
2	A₁	1632	1537	0.00	14.00	0.69	0.82
3	A₁	1193	1124	0.00	78.05	0.31	0.48
4	B₁	951	896	0.00	19.04	0.75	0.86
5	B₂	3327	3135	6.23	52.08	0.75	0.86
6	B₂	2214	2086	80.05	0.09	0.75	0.86
7	B₂	1568	1477	0.05	0.25	0.75	0.86
8	E	3407	3210	5.42	103.13	0.75	0.86
8	E	3407	3210	5.42	103.13	0.75	0.86
9	E	1124	1059	0.31	0.86	0.75	0.86
9	E	1124	1059	0.31	0.86	0.75	0.86
10	E	998	941	63.10	1.00	0.75	0.86
10	E	998	941	63.10	1.00	0.75	0.86
11	E	410	386	4.24	4.27	0.75	0.86
11	E	410	386	4.24	4.27	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.311
C3	0.000	0.000	-1.311
H4	0.000	0.927	1.877
H5	0.000	-0.927	1.877
H6	0.927	0.000	-1.877
H7	-0.927	0.000	-1.877

	C1	C2	C3	H4	H5	H6	H7
C1		1.3112	1.3112	2.0930	2.0930	2.0930	2.0930
C2	1.3112		2.6224	1.0857	1.0857	3.3198	3.3198
C3	1.3112	2.6224		3.3198	3.3198	1.0857	1.0857
H4	2.0930	1.0857	3.3198		1.8536	3.9755	3.9755
H5	2.0930	1.0857	3.3198	1.8536		3.9755	3.9755
H6	2.0930	3.3198	1.0857	3.9755	3.9755		1.8536
H7	2.0930	3.3198	1.0857	3.9755	3.9755	1.8536

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	121.153	C1	C2	H5	121.153
C1	C3	H6	121.153	C1	C3	H7	121.153
C2	C1	C3	180.000	H4	C2	H5	117.694
H6	C3	H7	117.694

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: G3MP2

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: G3MP2

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)