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	hartrees
Energy at 0K	-34.388820
Energy at 298.15K	-34.392365
Nuclear repulsion energy	54.720122

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4148	3725	60.61
2	A'	3420	3071	10.89
3	A'	3319	2980	25.80
4	A'	2240	2011	39.04
5	A'	1628	1462	104.72
6	A'	1526	1370	96.11
7	A'	1364	1225	17.92
8	A'	1286	1155	149.90
9	A'	1079	969	155.86
10	A'	1013	909	41.17
11	A'	652	586	34.02
12	A'	224	201	0.30
13	A"	3398	3052	18.06
14	A"	1094	982	6.84
15	A"	989	888	23.44
16	A"	670	601	2.74
17	A"	392	352	167.90
18	A"	270	242	8.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.668	-0.504	0.000
C2	0.000	0.644	0.000
C3	-0.658	1.802	0.000
O4	0.112	-1.753	0.000
H5	1.746	-0.535	0.000
H6	-0.931	2.291	0.928
H7	-0.931	2.291	-0.928
H8	-0.836	-1.676	0.000

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3285	2.6601	1.3668	1.0784	3.3515	3.3515	1.9063
C2	1.3285		1.3317	2.3998	2.1065	2.1073	2.1073	2.4661
C3	2.6601	1.3317		3.6375	3.3523	1.0838	1.0838	3.4824
O4	1.3668	2.3998	3.6375		2.0379	4.2785	4.2785	0.9514
H5	1.0784	2.1065	3.3523	2.0379		4.0016	4.0016	2.8228
H6	3.3515	2.1073	1.0838	4.2785	4.0016		1.8554	4.0752
H7	3.3515	2.1073	1.0838	4.2785	4.0016	1.8554		4.0752
H8	1.9063	2.4661	3.4824	0.9514	2.8228	4.0752	4.0752

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.431	C1	O4	H8	109.331
C2	C1	O4	125.840	C2	C1	H5	121.790
C2	C3	H6	121.136	C2	C3	H7	121.136
O4	C1	H5	112.370	H6	C3	H7	117.727

All results from a given calculation for C₃H₄O (allenol)

using model chemistry: HF/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	-0.020
2	C	-0.213
3	C	-0.299
4	O	-0.494
5	H	0.223
6	H	0.186
7	H	0.186
8	H	0.431

	x	y	z	Total
	-1.030	0.993	0.000	1.431
CHELPG
AIM
ESP

	x	y	z
x	4.651	-2.599	0.000
y	-2.599	8.466	0.000
z	0.000	0.000	2.819

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H4O (allenol)

using model chemistry: HF/CEP-31G*

States and conformations

All results from a given calculation for C₃H₄O (allenol)