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	hartrees
Energy at 0K	-190.059307
Energy at 298.15K	-190.062649
HF Energy	-189.647794
Nuclear repulsion energy	100.430342

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3537	3383	4.43
2	A'	3203	3064	5.81
3	A'	3107	2972	10.66
4	A'	2044	1955	17.36
5	A'	1558	1490	7.31
6	A'	1447	1384	42.06
7	A'	1342	1283	7.06
8	A'	1189	1138	66.05
9	A'	966	924	54.71
10	A'	937	896	106.58
11	A'	607	581	22.95
12	A'	186	178	0.44
13	A"	3171	3033	10.28
14	A"	1106	1058	0.13
15	A"	938	897	25.72
16	A"	627	600	0.32
17	A"	382	366	168.59
18	A"	235	224	4.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.677	-0.465	0.000
C2	0.000	0.665	0.000
C3	-0.694	1.787	0.000
O4	0.146	-1.782	0.000
H5	1.762	-0.502	0.000
H6	-0.993	2.283	0.925
H7	-0.993	2.283	-0.925
H8	-0.844	-1.727	0.000

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3174	2.6365	1.4200	1.0859	3.3461	3.3461	1.9762
C2	1.3174		1.3191	2.4517	2.1134	2.1117	2.1117	2.5368
C3	2.6365	1.3191		3.6668	3.3569	1.0916	1.0916	3.5176
O4	1.4200	2.4517	3.6668		2.0621	4.3219	4.3219	0.9913
H5	1.0859	2.1134	3.3569	2.0621		4.0250	4.0250	2.8798
H6	3.3461	2.1117	1.0916	4.3219	4.0250		1.8505	4.1182
H7	3.3461	2.1117	1.0916	4.3219	4.0250	1.8505		4.1182
H8	1.9762	2.5368	3.5176	0.9913	2.8798	4.1182	4.1182

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.196	C1	O4	H8	108.774
C2	C1	O4	127.132	C2	C1	H5	122.834
C2	C3	H6	122.043	C2	C3	H7	122.043
O4	C1	H5	110.034	H6	C3	H7	115.910

All results from a given calculation for C₃H₄O (allenol)

using model chemistry: CCD/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	0.081
2	C	-0.144
3	C	-0.410
4	O	-0.653
5	H	0.263
6	H	0.235
7	H	0.235
8	H	0.393

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H4O (allenol)

using model chemistry: CCD/3-21G*

States and conformations

All results from a given calculation for C₃H₄O (allenol)