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	hartrees
Energy at 0K	-191.436179
Energy at 298.15K	-191.439699
HF Energy	-190.734814
Nuclear repulsion energy	102.387484

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3855	3623	47.66
2	A'	3262	3066	2.96
3	A'	3186	2995	7.73
4	A'	2085	1960	42.64
5	A'	1522	1431	46.39
6	A'	1438	1351	52.63
7	A'	1318	1239	8.06
8	A'	1218	1145	115.44
9	A'	998	938	97.26
10	A'	930	874	32.31
11	A'	632	594	19.26
12	A'	213	200	0.90
13	A"	3271	3074	2.54
14	A"	1050	987	0.99
15	A"	920	865	20.91
16	A"	651	612	0.91
17	A"	442	416	109.82
18	A"	275	259	1.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.658	-0.485	0.000
C2	0.000	0.643	0.000
C3	-0.658	1.770	0.000
O4	0.123	-1.742	0.000
H5	1.739	-0.516	0.000
H6	-0.942	2.263	0.922
H7	-0.942	2.263	-0.922
H8	-0.835	-1.646	0.000

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3065	2.6116	1.3661	1.0813	3.3117	3.3117	1.8913
C2	1.3065		1.3051	2.3883	2.0901	2.0889	2.0889	2.4367
C3	2.6116	1.3051		3.5978	3.3127	1.0838	1.0838	3.4207
O4	1.3661	2.3883	3.5978		2.0288	4.2458	4.2458	0.9623
H5	1.0813	2.0901	3.3127	2.0288		3.9706	3.9706	2.8111
H6	3.3117	2.0889	1.0838	4.2458	3.9706		1.8448	4.0180
H7	3.3117	2.0889	1.0838	4.2458	3.9706	1.8448		4.0180
H8	1.8913	2.4367	3.4207	0.9623	2.8111	4.0180	4.0180

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.961	C1	O4	H8	107.363
C2	C1	O4	126.659	C2	C1	H5	121.883
C2	C3	H6	121.673	C2	C3	H7	121.673
O4	C1	H5	111.458	H6	C3	H7	116.654

All results from a given calculation for C₃H₄O (allenol)

using model chemistry: MP2=FULL/6-31G(2df,p)

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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Number	Element	Mulliken
1	C	0.026
2	C	0.111
3	C	-0.461
4	O	-0.529
5	H	0.172
6	H	0.167
7	H	0.167
8	H	0.348

<r²>	87.214
(<r²>)^1/2	9.339

All results from a given calculation for C3H4O (allenol)

using model chemistry: MP2=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₄O (allenol)