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	hartrees
Energy at 0K	-191.405506
Energy at 298.15K	-191.408917
HF Energy	-190.763190
Nuclear repulsion energy	101.746163

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3895	3716	36.32
2	A'	3227	3079	5.72
3	A'	3136	2992	15.08
4	A'	2060	1965	35.93
5	A'	1524	1454	52.68
6	A'	1445	1379	49.21
7	A'	1319	1258	7.69
8	A'	1214	1158	123.59
9	A'	996	950	100.52
10	A'	917	875	31.37
11	A'	621	593	23.92
12	A'	209	200	0.45
13	A"	3214	3066	8.19
14	A"	1045	998	2.38
15	A"	904	862	24.20
16	A"	626	597	0.20
17	A"	379	362	115.01
18	A"	256	244	6.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.663	-0.493	0.000
C2	0.000	0.645	0.000
C3	-0.656	1.787	0.000
O4	0.115	-1.753	0.000
H5	1.747	-0.526	0.000
H6	-0.936	2.282	0.929
H7	-0.936	2.282	-0.929
H8	-0.839	-1.647	0.000

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3169	2.6341	1.3740	1.0851	3.3343	3.3343	1.8940
C2	1.3169		1.3172	2.4010	2.1032	2.1018	2.1018	2.4410
C3	2.6341	1.3172		3.6236	3.3353	1.0889	1.0889	3.4396
O4	1.3740	2.4010	3.6236		2.0421	4.2718	4.2718	0.9601
H5	1.0851	2.1032	3.3353	2.0421		3.9931	3.9931	2.8190
H6	3.3343	2.1018	1.0889	4.2718	3.9931		1.8577	4.0384
H7	3.3343	2.1018	1.0889	4.2718	3.9931	1.8577		4.0384
H8	1.8940	2.4410	3.4396	0.9601	2.8190	4.0384	4.0384

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.639	C1	O4	H8	107.142
C2	C1	O4	126.311	C2	C1	H5	121.938
C2	C3	H6	121.457	C2	C3	H7	121.457
O4	C1	H5	111.751	H6	C3	H7	117.084

All results from a given calculation for C₃H₄O (allenol)

using model chemistry: QCISD/6-311G**

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	0.129
2	C	-0.181
3	C	-0.197
4	O	-0.409
5	H	0.136
6	H	0.133
7	H	0.133
8	H	0.257

<r²>	88.450
(<r²>)^1/2	9.405

All results from a given calculation for C3H4O (allenol)

using model chemistry: QCISD/6-311G**

States and conformations

All results from a given calculation for C₃H₄O (allenol)