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	hartrees
Energy at 0K	-191.771449
Energy at 298.15K	-191.765878
HF Energy	-191.888293
Nuclear repulsion energy	102.199985

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3804	3670	31.40
2	A'	3186	3074	4.94
3	A'	3100	2992	19.15
4	A'	2076	2004	33.71
5	A'	1510	1457	52.37
6	A'	1423	1373	56.74
7	A'	1297	1251	5.62
8	A'	1204	1161	116.14
9	A'	994	959	107.73
10	A'	926	894	31.51
11	A'	630	608	17.13
12	A'	216	209	1.01
13	A"	3164	3053	8.87
14	A"	1039	1002	1.23
15	A"	904	873	20.89
16	A"	636	614	0.73
17	A"	437	422	104.05
18	A"	276	266	1.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.657	-0.484	0.000
C2	0.000	0.645	0.000
C3	-0.653	1.773	0.000
O4	0.120	-1.746	0.000
H5	1.742	-0.521	0.000
H6	-0.941	2.274	0.923
H7	-0.941	2.274	-0.923
H8	-0.841	-1.665	0.000

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3063	2.6096	1.3713	1.0851	3.3187	3.3187	1.9081
C2	1.3063		1.3034	2.3937	2.0959	2.0957	2.0957	2.4588
C3	2.6096	1.3034		3.6024	3.3162	1.0891	1.0891	3.4434
O4	1.3713	2.3937	3.6024		2.0322	4.2589	4.2589	0.9644
H5	1.0851	2.0959	3.3162	2.0322		3.9827	3.9827	2.8250
H6	3.3187	2.0957	1.0891	4.2589	3.9827		1.8458	4.0478
H7	3.3187	2.0957	1.0891	4.2589	3.9827	1.8458		4.0478
H8	1.9081	2.4588	3.4434	0.9644	2.8250	4.0478	4.0478

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.645	C1	O4	H8	108.720
C2	C1	O4	126.991	C2	C1	H5	121.833
C2	C3	H6	121.918	C2	C3	H7	121.918
O4	C1	H5	111.176	H6	C3	H7	116.161

All results from a given calculation for C₃H₄O (allenol)

using model chemistry: G4

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	-0.105
2	C	0.257
3	C	-0.475
4	O	-0.374
5	H	0.135
6	H	0.131
7	H	0.131
8	H	0.300

	x	y	z	Total
	-0.930	0.590	0.000	1.101
CHELPG
AIM
ESP

<r²>	87.349
(<r²>)^1/2	9.346

All results from a given calculation for C3H4O (allenol)

using model chemistry: G4

States and conformations

All results from a given calculation for C₃H₄O (allenol)