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	hartrees
Energy at 0K	-188.542528
Energy at 298.15K	-188.545653
HF Energy	-188.246750
Nuclear repulsion energy	99.210127

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3683	3683	43.39
2	A'	3398	3398	3.24
3	A'	3326	3326	0.87
4	A'	2110	2110	35.50
5	A'	1640	1640	6.45
6	A'	1581	1581	18.41
7	A'	1433	1433	3.83
8	A'	1213	1213	9.68
9	A'	999	999	26.10
10	A'	933	933	9.52
11	A'	603	603	6.71
12	A'	197	197	0.76
13	A"	3450	3450	0.27
14	A"	1111	1111	0.28
15	A"	924	924	8.23
16	A"	598	598	1.02
17	A"	412	412	63.77
18	A"	255	255	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.702	-0.469	0.000
C2	0.000	0.667	0.000
C3	-0.718	1.790	0.000
O4	0.152	-1.801	0.000
H5	1.813	-0.489	0.000
H6	-1.035	2.290	0.939
H7	-1.035	2.290	-0.939
H8	-0.860	-1.611	0.000

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3358	2.6684	1.4410	1.1114	3.3925	3.3925	1.9343
C2	1.3358		1.3327	2.4733	2.1503	2.1411	2.1411	2.4352
C3	2.6684	1.3327		3.6950	3.4060	1.1098	1.1098	3.4038
O4	1.4410	2.4733	3.6950		2.1169	4.3619	4.3619	1.0293
H5	1.1114	2.1503	3.4060	2.1169		4.0879	4.0879	2.8986
H6	3.3925	2.1411	1.1098	4.3619	4.0879		1.8781	4.0161
H7	3.3925	2.1411	1.1098	4.3619	4.0879	1.8781		4.0161
H8	1.9343	2.4352	3.4038	1.0293	2.8986	4.0161	4.0161

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.069	C1	O4	H8	101.782
C2	C1	O4	125.879	C2	C1	H5	122.701
C2	C3	H6	122.207	C2	C3	H7	122.207
O4	C1	H5	111.420	H6	C3	H7	115.585

All results from a given calculation for C₃H₄O (allenol)

using model chemistry: QCISD/STO-3G

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	0.019
2	C	-0.040
3	C	-0.135
4	O	-0.241
5	H	0.079
6	H	0.070
7	H	0.070
8	H	0.179

<r²>	90.385
(<r²>)^1/2	9.507

All results from a given calculation for C3H4O (allenol)

using model chemistry: QCISD/STO-3G

States and conformations

All results from a given calculation for C₃H₄O (allenol)