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	hartrees
Energy at 0K	-35.238402
Energy at 298.15K	-35.241690
Nuclear repulsion energy	53.949769

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3782	3653	27.25
2	A'	3204	3094	6.63
3	A'	3109	3002	22.68
4	A'	2062	1992	32.73
5	A'	1490	1438	65.28
6	A'	1401	1353	63.97
7	A'	1259	1216	10.52
8	A'	1181	1140	124.55
9	A'	989	955	133.88
10	A'	884	854	60.35
11	A'	591	571	21.22
12	A'	201	194	0.43
13	A"	3179	3070	14.55
14	A"	998	964	1.20
15	A"	864	835	42.68
16	A"	599	579	0.03
17	A"	411	397	125.90
18	A"	227	220	6.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.678	-0.507	0.000
C2	0.000	0.654	0.000
C3	-0.669	1.822	0.000
O4	0.116	-1.779	0.000
H5	1.771	-0.552	0.000
H6	-0.951	2.321	0.938
H7	-0.951	2.321	-0.938
H8	-0.854	-1.672	0.000

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3451	2.6913	1.3910	1.0933	3.3962	3.3962	1.9245
C2	1.3451		1.3462	2.4364	2.1425	2.1359	2.1359	2.4780
C3	2.6913	1.3462		3.6864	3.4043	1.0988	1.0988	3.4995
O4	1.3910	2.4364	3.6864		2.0606	4.3397	4.3397	0.9753
H5	1.0933	2.1425	3.4043	2.0606		4.0669	4.0669	2.8536
H6	3.3962	2.1359	1.0988	4.3397	4.0669		1.8752	4.1033
H7	3.3962	2.1359	1.0988	4.3397	4.0669	1.8752		4.1033
H8	1.9245	2.4780	3.4995	0.9753	2.8536	4.1033	4.1033

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.504	C1	O4	H8	107.542
C2	C1	O4	125.856	C2	C1	H5	122.618
C2	C3	H6	121.427	C2	C3	H7	121.427
O4	C1	H5	111.526	H6	C3	H7	117.144

All results from a given calculation for C₃H₄O (allenol)

using model chemistry: B3LYP/CEP-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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Number	Element	Mulliken
1	C	-0.186
2	C	-0.055
3	C	-0.418
4	O	-0.369
5	H	0.243
6	H	0.204
7	H	0.204
8	H	0.376

	x	y	z	Total
	-1.024	0.911	0.000	1.370
CHELPG
AIM
ESP

	x	y	z
x	4.785	-2.472	0.000
y	-2.472	8.906	0.000
z	0.000	0.000	2.916

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H4O (allenol)

using model chemistry: B3LYP/CEP-31G*

States and conformations

All results from a given calculation for C₃H₄O (allenol)