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	hartrees
Energy at 0K	-190.039033
Energy at 298.15K	-190.042423
HF Energy	-189.647931
Nuclear repulsion energy	100.499560

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3514	3356	12.68
2	A'	3247	3101	4.58
3	A'	3145	3003	10.89
4	A'	2033	1941	23.95
5	A'	1572	1501	4.21
6	A'	1446	1381	40.79
7	A'	1336	1275	6.38
8	A'	1190	1136	88.09
9	A'	983	938	54.85
10	A'	936	894	118.72
11	A'	615	587	22.12
12	A'	186	177	0.51
13	A"	3214	3069	9.16
14	A"	1119	1068	0.08
15	A"	961	917	30.62
16	A"	644	615	0.09
17	A"	422	403	164.38
18	A"	220	210	5.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.677	-0.463	0.000
C2	0.000	0.667	0.000
C3	-0.699	1.783	0.000
O4	0.152	-1.782	0.000
H5	1.759	-0.499	0.000
H6	-1.001	2.277	0.922
H7	-1.001	2.277	-0.922
H8	-0.840	-1.724	0.000

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3167	2.6341	1.4197	1.0827	3.3424	3.3424	1.9727
C2	1.3167		1.3176	2.4533	2.1104	2.1084	2.1084	2.5338
C3	2.6341	1.3176		3.6655	3.3548	1.0886	1.0886	3.5099
O4	1.4197	2.4533	3.6655		2.0559	4.3192	4.3192	0.9938
H5	1.0827	2.1104	3.3548	2.0559		4.0219	4.0219	2.8730
H6	3.3424	2.1084	1.0886	4.3192	4.0219		1.8444	4.1091
H7	3.3424	2.1084	1.0886	4.3192	4.0219	1.8444		4.1091
H8	1.9727	2.5338	3.5099	0.9938	2.8730	4.1091	4.1091

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	178.873	C1	O4	H8	108.342
C2	C1	O4	127.372	C2	C1	H5	122.880
C2	C3	H6	122.097	C2	C3	H7	122.097
O4	C1	H5	109.747	H6	C3	H7	115.801

All results from a given calculation for C₃H₄O (allenol)

using model chemistry: MP2=FULL/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>	90.238
(<r²>)^1/2	9.499

All results from a given calculation for C3H4O (allenol)

using model chemistry: MP2=FULL/3-21G

States and conformations

All results from a given calculation for C₃H₄O (allenol)