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	hartrees
Energy at 0K	-191.298895
Energy at 298.15K	-191.302356
HF Energy	-190.707154
Nuclear repulsion energy	101.852774

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3809	3574	33.28
2	A'	3272	3070	5.07
3	A'	3188	2991	11.18
4	A'	2112	1982	33.73
5	A'	1559	1463	53.08
6	A'	1470	1379	56.80
7	A'	1335	1253	0.93
8	A'	1236	1159	119.58
9	A'	1022	959	116.66
10	A'	939	881	38.40
11	A'	630	591	20.68
12	A'	212	199	0.87
13	A"	3262	3060	7.85
14	A"	1071	1005	0.83
15	A"	916	859	23.53
16	A"	637	598	0.62
17	A"	404	379	140.68
18	A"	271	254	2.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.657	-0.494	0.000
C2	0.000	0.644	0.000
C3	-0.641	1.790	0.000
O4	0.108	-1.753	0.000
H5	1.741	-0.535	0.000
H6	-0.921	2.292	0.924
H7	-0.921	2.292	-0.924
H8	-0.857	-1.671	0.000

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3143	2.6273	1.3728	1.0857	3.3325	3.3325	1.9170
C2	1.3143		1.3131	2.3993	2.1034	2.1017	2.1017	2.4686
C3	2.6273	1.3131		3.6213	3.3293	1.0883	1.0883	3.4680
O4	1.3728	2.3993	3.6213		2.0372	4.2744	4.2744	0.9682
H5	1.0857	2.1034	3.3293	2.0372		3.9921	3.9921	2.8356
H6	3.3325	2.1017	1.0883	4.2744	3.9921		1.8488	4.0694
H7	3.3325	2.1017	1.0883	4.2744	3.9921	1.8488		4.0694
H8	1.9170	2.4686	3.4680	0.9682	2.8356	4.0694	4.0694

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.237	C1	O4	H8	108.710
C2	C1	O4	126.473	C2	C1	H5	122.141
C2	C3	H6	121.855	C2	C3	H7	121.855
O4	C1	H5	111.386	H6	C3	H7	116.290

All results from a given calculation for C₃H₄O (allenol)

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G*

States and conformations

All results from a given calculation for C₃H₄O (allenol)