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	hartrees
Energy at 0K	-191.292360
Energy at 298.15K
HF Energy	-190.706289
Nuclear repulsion energy	101.529697

Atom	x (Å)	y (Å)	z (Å)
C1	0.667	-0.488	0.000
C2	0.000	0.646	0.000
C3	-0.659	1.786	0.000
O4	0.117	-1.755	0.000
H5	1.753	-0.531	0.000
H6	-0.945	2.284	0.926
H7	-0.945	2.284	-0.926
H8	-0.851	-1.661	0.000

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3161	2.6326	1.3811	1.0864	3.3384	3.3384	1.9187
C2	1.3161		1.3165	2.4040	2.1115	2.1059	2.1059	2.4592
C3	2.6326	1.3165		3.6249	3.3444	1.0901	1.0901	3.4522
O4	1.3811	2.4040	3.6249		2.0430	4.2781	4.2781	0.9729
H5	1.0864	2.1115	3.3444	2.0430		4.0079	4.0079	2.8387
H6	3.3384	2.1059	1.0901	4.2781	4.0079		1.8526	4.0537
H7	3.3384	2.1059	1.0901	4.2781	4.0079	1.8526		4.0537
H8	1.9187	2.4592	3.4522	0.9729	2.8387	4.0537	4.0537

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.567	C1	O4	H8	107.931
C2	C1	O4	126.053	C2	C1	H5	122.727
C2	C3	H6	121.819	C2	C3	H7	121.819
O4	C1	H5	111.219	H6	C3	H7	116.362

Number	Element	Mulliken
1	C	0.079
2	C	0.035
3	C	-0.463
4	O	-0.714
5	H	0.215
6	H	0.197
7	H	0.197
8	H	0.454

All results from a given calculation for C₃H₄O (allenol)

using model chemistry: CCSD/6-31G*

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>	88.537
(<r²>)^1/2	9.409

All results from a given calculation for C3H4O (allenol)

using model chemistry: CCSD/6-31G*

States and conformations

All results from a given calculation for C₃H₄O (allenol)