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	hartrees
Energy at 0K	-191.334706
Energy at 298.15K	-191.338146
HF Energy	-190.728579
Nuclear repulsion energy	101.259789

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3869	3701	37.81
2	A'	3237	3097	5.54
3	A'	3151	3015	12.42
4	A'	2082	1992	38.75
5	A'	1527	1461	67.75
6	A'	1440	1378	45.08
7	A'	1326	1268	9.39
8	A'	1214	1161	107.31
9	A'	1006	962	98.47
10	A'	916	876	30.53
11	A'	617	590	21.61
12	A'	208	199	0.60
13	A"	3239	3099	6.73
14	A"	1043	997	1.97
15	A"	901	862	22.21
16	A"	625	598	0.71
17	A"	409	392	113.06
18	A"	258	247	3.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.662	-0.500	0.000
C2	0.000	0.648	0.000
C3	-0.655	1.799	0.000
O4	0.115	-1.761	0.000
H5	1.756	-0.530	0.000
H6	-0.936	2.298	0.937
H7	-0.936	2.298	-0.937
H8	-0.845	-1.655	0.000

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3249	2.6494	1.3743	1.0950	3.3558	3.3558	1.8979
C2	1.3249		1.3246	2.4116	2.1147	2.1162	2.1162	2.4525
C3	2.6494	1.3246		3.6425	3.3526	1.0981	1.0981	3.4589
O4	1.3743	2.4116	3.6425		2.0513	4.2968	4.2968	0.9659
H5	1.0950	2.1147	3.3526	2.0513		4.0157	4.0157	2.8336
H6	3.3558	2.1162	1.0981	4.2968	4.0157		1.8737	4.0637
H7	3.3558	2.1162	1.0981	4.2968	4.0157	1.8737		4.0637
H8	1.8979	2.4525	3.4589	0.9659	2.8336	4.0637	4.0637

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.684	C1	O4	H8	107.096
C2	C1	O4	126.618	C2	C1	H5	121.535
C2	C3	H6	121.447	C2	C3	H7	121.447
O4	C1	H5	111.847	H6	C3	H7	117.105

All results from a given calculation for C₃H₄O (allenol)

using model chemistry: CCD/cc-pVDZ

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	0.112
2	C	-0.201
3	C	-0.030
4	O	-0.293
5	H	0.080
6	H	0.079
7	H	0.079
8	H	0.173

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H4O (allenol)

using model chemistry: CCD/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₄O (allenol)