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	hartrees
Energy at 0K	-190.032225
Energy at 298.15K	-190.035601
HF Energy	-189.647877
Nuclear repulsion energy	100.484784

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3514	3343	12.63
2	A'	3247	3089	4.61
3	A'	3145	2992	10.97
4	A'	2033	1934	24.01
5	A'	1572	1495	4.17
6	A'	1446	1376	40.97
7	A'	1336	1271	6.37
8	A'	1189	1131	87.87
9	A'	982	934	55.18
10	A'	936	890	118.31
11	A'	614	584	22.15
12	A'	185	176	0.50
13	A"	3213	3057	9.21
14	A"	1118	1064	0.08
15	A"	960	914	30.64
16	A"	644	612	0.09
17	A"	421	401	164.22
18	A"	218	208	5.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.677	-0.462	0.000
C2	0.000	0.667	0.000
C3	-0.701	1.783	0.000
O4	0.153	-1.782	0.000
H5	1.760	-0.499	0.000
H6	-1.002	2.277	0.922
H7	-1.002	2.277	-0.922
H8	-0.839	-1.724	0.000

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3169	2.6346	1.4200	1.0828	3.3429	3.3429	1.9728
C2	1.3169		1.3178	2.4537	2.1108	2.1087	2.1087	2.5338
C3	2.6346	1.3178		3.6658	3.3556	1.0887	1.0887	3.5097
O4	1.4200	2.4537	3.6658		2.0562	4.3195	4.3195	0.9939
H5	1.0828	2.1108	3.3556	2.0562		4.0227	4.0227	2.8732
H6	3.3429	2.1087	1.0887	4.3195	4.0227		1.8446	4.1089
H7	3.3429	2.1087	1.0887	4.3195	4.0227	1.8446		4.1089
H8	1.9728	2.5338	3.5097	0.9939	2.8732	4.1089	4.1089

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	178.843	C1	O4	H8	108.327
C2	C1	O4	127.365	C2	C1	H5	122.887
C2	C3	H6	122.095	C2	C3	H7	122.095
O4	C1	H5	109.749	H6	C3	H7	115.805

All results from a given calculation for C₃H₄O (allenol)

using model chemistry: MP2/3-21G*

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	0.079
2	C	-0.143
3	C	-0.410
4	O	-0.651
5	H	0.263
6	H	0.236
7	H	0.236
8	H	0.392

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H4O (allenol)

using model chemistry: MP2/3-21G*

States and conformations

All results from a given calculation for C₃H₄O (allenol)