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	hartrees
Energy at 0K	-191.311089
Energy at 298.15K	-191.314665
Nuclear repulsion energy	102.642959

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4040	4040	49.81
2	A'	3311	3311	5.21
3	A'	3222	3222	12.10
4	A'	2153	2153	36.86
5	A'	1575	1575	77.30
6	A'	1483	1483	54.04
7	A'	1354	1354	10.20
8	A'	1255	1255	132.18
9	A'	1042	1042	113.70
10	A'	981	981	35.28
11	A'	656	656	27.19
12	A'	226	226	0.56
13	A"	3302	3302	6.32
14	A"	1079	1079	2.64
15	A"	962	962	22.35
16	A"	664	664	1.18
17	A"	391	391	128.68
18	A"	289	289	4.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.654	-0.488	0.000
C2	0.000	0.640	0.000
C3	-0.646	1.772	0.000
O4	0.112	-1.738	0.000
H5	1.732	-0.516	0.000
H6	-0.923	2.264	0.923
H7	-0.923	2.264	-0.923
H8	-0.835	-1.651	0.000

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3042	2.6080	1.3618	1.0783	3.3036	3.3036	1.8889
C2	1.3042		1.3038	2.3804	2.0823	2.0835	2.0835	2.4381
C3	2.6080	1.3038		3.5913	3.3002	1.0817	1.0817	3.4286
O4	1.3618	2.3804	3.5913		2.0288	4.2352	4.2352	0.9512
H5	1.0783	2.0823	3.3002	2.0288		3.9533	3.9533	2.8065
H6	3.3036	2.0835	1.0817	4.2352	3.9533		1.8460	4.0230
H7	3.3036	2.0835	1.0817	4.2352	3.9533	1.8460		4.0230
H8	1.8889	2.4381	3.4286	0.9512	2.8065	4.0230	4.0230

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.594	C1	O4	H8	108.191
C2	C1	O4	126.464	C2	C1	H5	121.564
C2	C3	H6	121.432	C2	C3	H7	121.432
O4	C1	H5	111.972	H6	C3	H7	117.136

All results from a given calculation for C₃H₄O (allenol)

using model chemistry: CID/6-311G**

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	0.132
2	C	-0.181
3	C	-0.195
4	O	-0.405
5	H	0.133
6	H	0.130
7	H	0.130
8	H	0.256

<r²>	87.150
(<r²>)^1/2	9.335

All results from a given calculation for C3H4O (allenol)

using model chemistry: CID/6-311G**

States and conformations

All results from a given calculation for C₃H₄O (allenol)