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	hartrees
Energy at 0K	-116.494358
Energy at 298.15K
HF Energy	-115.908908
Nuclear repulsion energy	59.100140

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1084	1084
2	B₁	874	874
3	B₂	2012	2012
4	E	3228	3228
5	E	3228	3228
6	E	3146	3146
7	E	3145	3145
8	E	1496	1496
8	E	1447	1447
9	E	1027	1027
9	E	1026	1026
10	E	864	864
10	E	864	864
11	E	353	353
11	E	352	352

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	1.867
H5	0.000	-0.927	1.867
H6	0.927	0.000	-1.867
H7	-0.927	0.000	-1.867

	C1	C2	C3	H4	H5	H6	H7
C1		1.3115	1.3115	2.0844	2.0844	2.0844	2.0844
C2	1.3115		2.6229	1.0810	1.0810	3.3107	3.3107
C3	1.3115	2.6229		3.3107	3.3107	1.0810	1.0810
H4	2.0844	1.0810	3.3107		1.8550	3.9571	3.9571
H5	2.0844	1.0810	3.3107	1.8550		3.9571	3.9571
H6	2.0844	3.3107	1.0810	3.9571	3.9571		1.8550
H7	2.0844	3.3107	1.0810	3.9571	3.9571	1.8550

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.907	C1	C2	H5	120.907
C1	C3	H6	120.907	C1	C3	H7	120.907
C2	C1	C3	180.000	H4	C2	H5	118.187
H6	C3	H7	118.187

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: QCISD(T)=FULL/Def2TZVPP

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: QCISD(T)=FULL/Def2TZVPP

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)