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	hartrees
Energy at 0K	-115.482790
Energy at 298.15K
HF Energy	-115.218722
Nuclear repulsion energy	59.091873

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3194	2975	0.00
2	A₁	1582	1474	0.00
3	A₁	1136	1058	0.00
4	B₁	929	865	0.00
5	B₂	3191	2973	2.47
6	B₂	2099	1955	24.60
7	B₂	1541	1435	2.40
8	E	3262	3039	4.66
8	E	3262	3039	4.66
9	E	1118	1041	0.36
9	E	1118	1041	0.36
10	E	965	899	66.61
10	E	965	899	66.61
11	E	348	324	5.77
11	E	348	324	5.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.309
C3	0.000	0.000	-1.309
H4	0.000	0.923	1.879
H5	0.000	-0.923	1.879
H6	0.923	0.000	-1.879
H7	-0.923	0.000	-1.879

	C1	C2	C3	H4	H5	H6	H7
C1		1.3090	1.3090	2.0932	2.0932	2.0932	2.0932
C2	1.3090		2.6180	1.0847	1.0847	3.3186	3.3186
C3	1.3090	2.6180		3.3186	3.3186	1.0847	1.0847
H4	2.0932	1.0847	3.3186		1.8463	3.9776	3.9776
H5	2.0932	1.0847	3.3186	1.8463		3.9776	3.9776
H6	2.0932	3.3186	1.0847	3.9776	3.9776		1.8463
H7	2.0932	3.3186	1.0847	3.9776	3.9776	1.8463

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	121.677	C1	C2	H5	121.677
C1	C3	H6	121.677	C1	C3	H7	121.677
C2	C1	C3	180.000	H4	C2	H5	116.645
H6	C3	H7	116.645

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: CID/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: CID/3-21G

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)