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	hartrees
Energy at 0K	-190.833654
Energy at 298.15K	-190.837105
Nuclear repulsion energy	102.080987

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3706	3637	29.42
2	A'	3122	3064	2.87
3	A'	3038	2982	14.54
4	A'	2067	2029	32.53
5	A'	1470	1443	88.65
6	A'	1362	1337	41.55
7	A'	1288	1264	10.86
8	A'	1172	1150	109.84
9	A'	996	977	90.63
10	A'	876	859	42.91
11	A'	620	608	21.66
12	A'	210	207	1.44
13	A"	3109	3050	5.74
14	A"	988	970	0.01
15	A"	862	846	31.22
16	A"	621	609	1.58
17	A"	465	457	117.74
18	A"	274	269	2.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.654	-0.496	0.000
C2	0.000	0.642	0.000
C3	-0.647	1.778	0.000
O4	0.116	-1.743	0.000
H5	1.750	-0.529	0.000
H6	-0.933	2.286	0.932
H7	-0.933	2.286	-0.932
H8	-0.856	-1.647	0.000

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3125	2.6196	1.3584	1.0966	3.3356	3.3356	1.8989
C2	1.3125		1.3071	2.3885	2.1058	2.1077	2.1077	2.4445
C3	2.6196	1.3071		3.6033	3.3268	1.0997	1.0997	3.4319
O4	1.3584	2.3885	3.6033		2.0353	4.2670	4.2670	0.9772
H5	1.0966	2.1058	3.3268	2.0353		3.9993	3.9993	2.8357
H6	3.3356	2.1077	1.0997	4.2670	3.9993		1.8647	4.0430
H7	3.3356	2.1077	1.0997	4.2670	3.9993	1.8647		4.0430
H8	1.8989	2.4445	3.4319	0.9772	2.8357	4.0430	4.0430

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.782	C1	O4	H8	107.661
C2	C1	O4	126.823	C2	C1	H5	121.621
C2	C3	H6	122.023	C2	C3	H7	122.023
O4	C1	H5	111.556	H6	C3	H7	115.954

All results from a given calculation for C₃H₄O (allenol)

using model chemistry: LSDA/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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Number	Element	Mulliken
1	C	-0.109
2	C	0.261
3	C	-0.482
4	O	-0.460
5	H	0.156
6	H	0.149
7	H	0.149
8	H	0.335

	x	y	z	Total
	-1.057	0.547	0.000	1.190
CHELPG
AIM
ESP

	x	y	z
x	4.602	-2.175	0.000
y	-2.175	8.443	0.000
z	0.000	0.000	3.004

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H4O (allenol)

using model chemistry: LSDA/6-31G**

States and conformations

All results from a given calculation for C₃H₄O (allenol)