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	hartrees
Energy at 0K	-191.294091
Energy at 298.15K	-191.297509
HF Energy	-190.706143
Nuclear repulsion energy	101.479490

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3751	3572	30.38
2	A'	3241	3087	6.06
3	A'	3151	3001	15.12
4	A'	2082	1982	33.60
5	A'	1543	1469	44.22
6	A'	1458	1388	57.93
7	A'	1323	1260	0.87
8	A'	1223	1164	119.78
9	A'	1006	958	111.23
10	A'	929	885	34.99
11	A'	619	590	19.86
12	A'	207	198	0.73
13	A"	3224	3070	10.17
14	A"	1064	1013	0.97
15	A"	902	859	23.15
16	A"	626	596	0.72
17	A"	407	388	136.85
18	A"	260	247	2.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.668	-0.488	0.000
C2	0.000	0.647	0.000
C3	-0.660	1.786	0.000
O4	0.118	-1.756	0.000
H5	1.754	-0.531	0.000
H6	-0.947	2.285	0.926
H7	-0.947	2.285	-0.926
H8	-0.851	-1.661	0.000

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3168	2.6340	1.3820	1.0866	3.3400	3.3400	1.9192
C2	1.3168		1.3172	2.4053	2.1128	2.1068	2.1068	2.4596
C3	2.6340	1.3172		3.6267	3.3467	1.0904	1.0904	3.4528
O4	1.3820	2.4053	3.6267		2.0435	4.2801	4.2801	0.9732
H5	1.0866	2.1128	3.3467	2.0435		4.0104	4.0104	2.8391
H6	3.3400	2.1068	1.0904	4.2801	4.0104		1.8529	4.0545
H7	3.3400	2.1068	1.0904	4.2801	4.0104	1.8529		4.0545
H8	1.9192	2.4596	3.4528	0.9732	2.8391	4.0545	4.0545

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.592	C1	O4	H8	107.884
C2	C1	O4	126.044	C2	C1	H5	122.773
C2	C3	H6	121.826	C2	C3	H7	121.826
O4	C1	H5	111.183	H6	C3	H7	116.347

All results from a given calculation for C₃H₄O (allenol)

using model chemistry: QCISD/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	0.079
2	C	0.035
3	C	-0.463
4	O	-0.714
5	H	0.215
6	H	0.197
7	H	0.197
8	H	0.454

<r²>	88.611
(<r²>)^1/2	9.413

All results from a given calculation for C3H4O (allenol)

using model chemistry: QCISD/6-31G*

States and conformations

All results from a given calculation for C₃H₄O (allenol)