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	hartrees
Energy at 0K	-191.740559
Energy at 298.15K	-191.734936
HF Energy	-191.866702
Nuclear repulsion energy	101.827359

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3733	3585	23.78
2	A'	3209	3082	6.53
3	A'	3116	2992	22.61
4	A'	2078	1995	36.91
5	A'	1531	1470	47.99
6	A'	1440	1383	65.69
7	A'	1302	1251	2.83
8	A'	1212	1164	127.54
9	A'	1002	962	114.29
10	A'	922	885	36.34
11	A'	630	605	17.65
12	A'	219	210	1.23
13	A"	3178	3052	12.95
14	A"	1052	1010	0.62
15	A"	903	868	24.14
16	A"	631	606	1.00
17	A"	443	425	123.63
18	A"	280	269	1.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.660	-0.486	0.000
C2	0.000	0.647	0.000
C3	-0.656	1.780	0.000
O4	0.121	-1.752	0.000
H5	1.745	-0.528	0.000
H6	-0.944	2.283	0.924
H7	-0.944	2.283	-0.924
H8	-0.847	-1.668	0.000

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3113	2.6204	1.3758	1.0863	3.3304	3.3304	1.9150
C2	1.3113		1.3091	2.4020	2.1042	2.1024	2.1024	2.4653
C3	2.6204	1.3091		3.6164	3.3307	1.0909	1.0909	3.4536
O4	1.3758	2.4020	3.6164		2.0338	4.2737	4.2737	0.9713
H5	1.0863	2.1042	3.3307	2.0338		3.9983	3.9983	2.8318
H6	3.3304	2.1024	1.0909	4.2737	3.9983		1.8490	4.0586
H7	3.3304	2.1024	1.0909	4.2737	3.9983	1.8490		4.0586
H8	1.9150	2.4653	3.4536	0.9713	2.8318	4.0586	4.0586

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.932	C1	O4	H8	108.678
C2	C1	O4	127.083	C2	C1	H5	121.970
C2	C3	H6	121.972	C2	C3	H7	121.972
O4	C1	H5	110.947	H6	C3	H7	116.054

All results from a given calculation for C₃H₄O (allenol)

using model chemistry: G3B3

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	-0.071
2	C	0.257
3	C	-0.507
4	O	-0.574
5	H	0.168
6	H	0.162
7	H	0.162
8	H	0.404

	x	y	z	Total
	-1.010	0.718	0.000	1.239
CHELPG
AIM
ESP

<r²>	87.969
(<r²>)^1/2	9.379

All results from a given calculation for C3H4O (allenol)

using model chemistry: G3B3

States and conformations

All results from a given calculation for C₃H₄O (allenol)