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	hartrees
Energy at 0K	-191.406542
Energy at 298.15K	-191.410044
HF Energy	-190.734322
Nuclear repulsion energy	102.139725

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3850	3636	47.22
2	A'	3256	3075	2.88
3	A'	3177	3000	7.64
4	A'	2072	1957	42.56
5	A'	1517	1433	45.52
6	A'	1434	1355	51.30
7	A'	1312	1240	6.74
8	A'	1212	1145	116.12
9	A'	996	941	98.94
10	A'	931	879	31.67
11	A'	630	595	18.76
12	A'	212	201	0.83
13	A"	3261	3080	2.59
14	A"	1046	988	1.13
15	A"	915	864	21.14
16	A"	645	610	0.70
17	A"	437	413	109.18
18	A"	271	256	1.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.663	-0.486	0.000
C2	0.000	0.645	0.000
C3	-0.663	1.773	0.000
O4	0.123	-1.745	0.000
H5	1.745	-0.519	0.000
H6	-0.948	2.266	0.924
H7	-0.948	2.266	-0.924
H8	-0.835	-1.645	0.000

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3103	2.6193	1.3703	1.0826	3.3198	3.3198	1.8943
C2	1.3103		1.3089	2.3928	2.0975	2.0934	2.0934	2.4372
C3	2.6193	1.3089		3.6051	3.3246	1.0855	1.0855	3.4229
O4	1.3703	2.3928	3.6051		2.0332	4.2532	4.2532	0.9632
H5	1.0826	2.0975	3.3246	2.0332		3.9831	3.9831	2.8150
H6	3.3198	2.0934	1.0855	4.2532	3.9831		1.8484	4.0204
H7	3.3198	2.0934	1.0855	4.2532	3.9831	1.8484		4.0204
H8	1.8943	2.4372	3.4229	0.9632	2.8150	4.0204	4.0204

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.976	C1	O4	H8	107.254
C2	C1	O4	126.399	C2	C1	H5	122.170
C2	C3	H6	121.634	C2	C3	H7	121.634
O4	C1	H5	111.431	H6	C3	H7	116.730

All results from a given calculation for C₃H₄O (allenol)

using model chemistry: MP2/6-31G(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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Number	Element	Mulliken
1	C	0.027
2	C	0.108
3	C	-0.460
4	O	-0.532
5	H	0.174
6	H	0.167
7	H	0.167
8	H	0.348

<r²>	87.536
(<r²>)^1/2	9.356

All results from a given calculation for C3H4O (allenol)

using model chemistry: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₄O (allenol)