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	hartrees
Energy at 0K	-191.893849
Energy at 298.15K	-191.897330
HF Energy	-191.893849
Nuclear repulsion energy	102.014343

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3772	3640	28.11
2	A'	3191	3079	5.46
3	A'	3098	2989	23.39
4	A'	2060	1988	33.83
5	A'	1510	1457	42.50
6	A'	1425	1375	60.68
7	A'	1291	1246	7.65
8	A'	1198	1156	113.61
9	A'	988	953	109.50
10	A'	920	888	31.14
11	A'	622	600	17.69
12	A'	211	204	0.85
13	A"	3163	3052	11.21
14	A"	1036	1000	1.70
15	A"	901	870	22.42
16	A"	632	610	0.44
17	A"	449	433	100.44
18	A"	266	256	2.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.659	-0.485	0.000
C2	0.000	0.646	0.000
C3	-0.656	1.775	0.000
O4	0.119	-1.749	0.000
H5	1.743	-0.528	0.000
H6	-0.937	2.280	0.924
H7	-0.937	2.280	-0.924
H8	-0.843	-1.655	0.000

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3093	2.6156	1.3739	1.0847	3.3241	3.3241	1.9036
C2	1.3093		1.3063	2.3978	2.1013	2.0981	2.0981	2.4502
C3	2.6156	1.3063		3.6086	3.3258	1.0893	1.0893	3.4352
O4	1.3739	2.3978	3.6086		2.0315	4.2666	4.2666	0.9671
H5	1.0847	2.1013	3.3258	2.0315		3.9899	3.9899	2.8209
H6	3.3241	2.0981	1.0893	4.2666	3.9899		1.8470	4.0432
H7	3.3241	2.0981	1.0893	4.2666	3.9899	1.8470		4.0432
H8	1.9036	2.4502	3.4352	0.9671	2.8209	4.0432	4.0432

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.930	C1	O4	H8	107.540
C2	C1	O4	126.645	C2	C1	H5	122.462
C2	C3	H6	122.020	C2	C3	H7	122.020
O4	C1	H5	110.892	H6	C3	H7	115.946

All results from a given calculation for C₃H₄O (allenol)

using model chemistry: TPSSh/6-31G(2df,p)

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: TPSSh/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₄O (allenol)