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	hartrees
Energy at 0K	-191.346033
Energy at 298.15K	-191.349341
HF Energy	-190.740457
Nuclear repulsion energy	100.922072

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3789	3634	46.56
2	A'	3250	3117	1.99
3	A'	3150	3021	12.28
4	A'	2026	1943	42.30
5	A'	1487	1426	43.81
6	A'	1408	1350	55.37
7	A'	1272	1220	8.19
8	A'	1185	1136	116.16
9	A'	974	934	116.17
10	A'	918	881	30.40
11	A'	602	577	21.65
12	A'	193	185	0.35
13	A"	3243	3110	2.43
14	A"	1017	976	3.53
15	A"	885	849	28.41
16	A"	621	596	0.06
17	A"	395	379	98.20
18	A"	208	200	4.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.669	-0.498	0.000
C2	0.000	0.649	0.000
C3	-0.657	1.804	0.000
O4	0.112	-1.766	0.000
H5	1.760	-0.535	0.000
H6	-0.937	2.299	0.936
H7	-0.937	2.299	-0.936
H8	-0.853	-1.668	0.000

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3279	2.6563	1.3859	1.0912	3.3578	3.3578	1.9201
C2	1.3279		1.3285	2.4182	2.1213	2.1153	2.1153	2.4691
C3	2.6563	1.3285		3.6522	3.3634	1.0952	1.0952	3.4774
O4	1.3859	2.4182	3.6522		2.0572	4.3011	4.3011	0.9696
H5	1.0912	2.1213	3.3634	2.0572		4.0224	4.0224	2.8477
H6	3.3578	2.1153	1.0952	4.3011	4.0224		1.8723	4.0761
H7	3.3578	2.1153	1.0952	4.3011	4.0224	1.8723		4.0761
H8	1.9201	2.4691	3.4774	0.9696	2.8477	4.0761	4.0761

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.360	C1	O4	H8	107.891
C2	C1	O4	126.006	C2	C1	H5	122.246
C2	C3	H6	121.262	C2	C3	H7	121.262
O4	C1	H5	111.747	H6	C3	H7	117.477

All results from a given calculation for C₃H₄O (allenol)

using model chemistry: MP2/aug-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	1.144
2	C	-0.538
3	C	0.529
4	O	-0.714
5	H	-0.229
6	H	-0.174
7	H	-0.174
8	H	0.155

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H4O (allenol)

using model chemistry: MP2/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₄O (allenol)