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	hartrees
Energy at 0K	-191.558687
Energy at 298.15K
HF Energy	-190.787826
Nuclear repulsion energy	102.422257

Atom	x (Å)	y (Å)	z (Å)
C1	0.659	-0.485	0.000
C2	0.000	0.643	0.000
C3	-0.655	1.772	0.000
O4	0.119	-1.742	0.000
H5	1.734	-0.510	0.000
H6	-0.934	2.258	0.922
H7	-0.934	2.258	-0.922
H8	-0.839	-1.646	0.000

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3064	2.6120	1.3681	1.0750	3.3037	3.3037	1.8957
C2	1.3064		1.3056	2.3874	2.0824	2.0814	2.0814	2.4378
C3	2.6120	1.3056		3.5979	3.3042	1.0790	1.0790	3.4231
O4	1.3681	2.3874	3.5979		2.0314	4.2376	4.2376	0.9624
H5	1.0750	2.0824	3.3042	2.0314		3.9539	3.9539	2.8127
H6	3.3037	2.0814	1.0790	4.2376	3.9539		1.8440	4.0128
H7	3.3037	2.0814	1.0790	4.2376	3.9539	1.8440		4.0128
H8	1.8957	2.4378	3.4231	0.9624	2.8127	4.0128	4.0128

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.812	C1	O4	H8	107.590
C2	C1	O4	126.399	C2	C1	H5	121.659
C2	C3	H6	121.292	C2	C3	H7	121.292
O4	C1	H5	111.942	H6	C3	H7	117.415

Number	Element	Mulliken
1	C	0.008
2	C	-0.041
3	C	-0.351
4	O	-0.338
5	H	0.180
6	H	0.155
7	H	0.155
8	H	0.231

All results from a given calculation for C₃H₄O (allenol)

using model chemistry: MP2=FULL/cc-pVTZ

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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<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H4O (allenol)

using model chemistry: MP2=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₄O (allenol)