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	hartrees
Energy at 0K	-190.786869
Energy at 298.15K	-190.790565
Nuclear repulsion energy	103.367949

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4175	3793	73.05
2	A'	3351	3044	3.16
3	A'	3260	2962	13.98
4	A'	2202	2001	33.82
5	A'	1630	1481	91.91
6	A'	1534	1394	73.72
7	A'	1376	1250	6.19
8	A'	1294	1176	169.30
9	A'	1074	976	123.81
10	A'	1052	956	45.45
11	A'	688	625	26.49
12	A'	242	220	0.56
13	A"	3334	3029	4.43
14	A"	1127	1024	4.13
15	A"	1020	927	23.49
16	A"	701	637	1.52
17	A"	389	353	128.11
18	A"	311	283	1.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.646	-0.486	0.000
C2	0.000	0.635	0.000
C3	-0.633	1.764	0.000
O4	0.106	-1.724	0.000
H5	1.718	-0.510	0.000
H6	-0.906	2.254	0.918
H7	-0.906	2.254	-0.918
H8	-0.833	-1.679	0.000

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.2937	2.5879	1.3511	1.0720	3.2798	3.2798	1.9004
C2	1.2937		1.2943	2.3617	2.0644	2.0697	2.0697	2.4591
C3	2.5879	1.2943		3.5656	3.2707	1.0755	1.0755	3.4482
O4	1.3511	2.3617	3.5656		2.0179	4.2062	4.2062	0.9405
H5	1.0720	2.0644	3.2707	2.0179		3.9199	3.9199	2.8060
H6	3.2798	2.0697	1.0755	4.2062	3.9199		1.8354	4.0388
H7	3.2798	2.0697	1.0755	4.2062	3.9199	1.8354		4.0388
H8	1.9004	2.4591	3.4482	0.9405	2.8060	4.0388	4.0388

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.334	C1	O4	H8	110.773
C2	C1	O4	126.485	C2	C1	H5	121.254
C2	C3	H6	121.430	C2	C3	H7	121.430
O4	C1	H5	112.261	H6	C3	H7	117.139

All results from a given calculation for C₃H₄O (allenol)

using model chemistry: HF/6-311+G(3df,2p)

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	0.202
2	C	0.265
3	C	-0.484
4	O	-0.694
5	H	0.164
6	H	0.159
7	H	0.159
8	H	0.229

	x	y	z	Total
	-0.947	0.858	0.000	1.278
CHELPG
AIM
ESP

	x	y	z
x	5.828	-1.971	0.000
y	-1.971	9.108	0.000
z	0.000	0.000	4.364

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H4O (allenol)

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₃H₄O (allenol)