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	hartrees
Energy at 0K	-191.260469
Energy at 298.15K	-191.263917
HF Energy	-190.706348
Nuclear repulsion energy	101.592214

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3742	3529	39.59
2	A'	3269	3083	4.34
3	A'	3181	3000	11.77
4	A'	2072	1953	43.14
5	A'	1544	1456	32.83
6	A'	1455	1372	63.11
7	A'	1317	1242	1.28
8	A'	1222	1152	128.58
9	A'	1005	948	114.99
10	A'	935	882	36.87
11	A'	621	586	19.77
12	A'	207	195	0.82
13	A"	3261	3075	6.84
14	A"	1066	1005	0.58
15	A"	912	860	26.63
16	A"	636	600	0.34
17	A"	431	407	135.98
18	A"	258	244	2.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.659	-0.494	0.000
C2	0.000	0.645	0.000
C3	-0.644	1.792	0.000
O4	0.107	-1.758	0.000
H5	1.744	-0.543	0.000
H6	-0.913	2.302	0.923
H7	-0.913	2.302	-0.923
H8	-0.862	-1.657	0.000

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3164	2.6316	1.3790	1.0853	3.3383	3.3383	1.9149
C2	1.3164		1.3153	2.4050	2.1101	2.1051	2.1051	2.4579
C3	2.6316	1.3153		3.6279	3.3399	1.0885	1.0885	3.4553
O4	1.3790	2.4050	3.6279		2.0381	4.2863	4.2863	0.9743
H5	1.0853	2.1101	3.3399	2.0381		4.0009	4.0009	2.8338
H6	3.3383	2.1051	1.0885	4.2863	4.0009		1.8462	4.0651
H7	3.3383	2.1051	1.0885	4.2863	4.0009	1.8462		4.0651
H8	1.9149	2.4579	3.4553	0.9743	2.8338	4.0651	4.0651

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.268	C1	O4	H8	107.682
C2	C1	O4	126.309	C2	C1	H5	122.658
C2	C3	H6	121.987	C2	C3	H7	121.987
O4	C1	H5	111.032	H6	C3	H7	115.999

All results from a given calculation for C₃H₄O (allenol)

using model chemistry: MP2/6-31G*

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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All results from a given calculation for C3H4O (allenol)

using model chemistry: MP2/6-31G*

States and conformations

All results from a given calculation for C₃H₄O (allenol)