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	hartrees
Energy at 0K	-191.391851
Energy at 298.15K	-191.395174
HF Energy	-190.781365
Nuclear repulsion energy	101.979147

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3832	3633	42.67
2	A'	3257	3087	2.93
3	A'	3166	3001	12.24
4	A'	2051	1944	39.02
5	A'	1522	1443	35.71
6	A'	1439	1364	50.20
7	A'	1288	1221	8.75
8	A'	1207	1144	128.51
9	A'	990	938	121.82
10	A'	897	850	37.27
11	A'	620	587	23.10
12	A'	200	189	0.41
13	A"	3251	3081	3.58
14	A"	1039	985	1.95
15	A"	899	853	30.19
16	A"	624	592	0.39
17	A"	357	338	110.51
18	A"	228	216	7.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.647	-0.499	0.000
C2	0.000	0.642	0.000
C3	-0.617	1.798	0.000
O4	0.093	-1.753	0.000
H5	1.728	-0.544	0.000
H6	-0.893	2.295	0.924
H7	-0.893	2.295	-0.924
H8	-0.866	-1.658	0.000

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3117	2.6220	1.3710	1.0818	3.3216	3.3216	1.9062
C2	1.3117		1.3105	2.3968	2.0955	2.0938	2.0938	2.4576
C3	2.6220	1.3105		3.6214	3.3139	1.0849	1.0849	3.4649
O4	1.3710	2.3968	3.6214		2.0339	4.2677	4.2677	0.9642
H5	1.0818	2.0955	3.3139	2.0339		3.9724	3.9724	2.8237
H6	3.3216	2.0938	1.0849	4.2677	3.9724		1.8481	4.0596
H7	3.3216	2.0938	1.0849	4.2677	3.9724	1.8481		4.0596
H8	1.9062	2.4576	3.4649	0.9642	2.8237	4.0596	4.0596

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	178.532	C1	O4	H8	108.171
C2	C1	O4	126.601	C2	C1	H5	121.904
C2	C3	H6	121.595	C2	C3	H7	121.595
O4	C1	H5	111.494	H6	C3	H7	116.801

All results from a given calculation for C₃H₄O (allenol)

using model chemistry: MP2/TZVP

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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All results from a given calculation for C3H4O (allenol)

using model chemistry: MP2/TZVP

States and conformations

All results from a given calculation for C₃H₄O (allenol)