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	hartrees
Energy at 0K	-191.313187
Energy at 298.15K	-191.316651
HF Energy	-190.719120
Nuclear repulsion energy	101.832890

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3866	3612	36.99
2	A'	3293	3077	5.01
3	A'	3209	2998	12.85
4	A'	2079	1942	43.18
5	A'	1551	1449	30.45
6	A'	1452	1357	67.32
7	A'	1314	1228	3.39
8	A'	1219	1139	122.19
9	A'	1004	938	113.42
10	A'	933	872	32.20
11	A'	622	581	19.38
12	A'	208	195	0.87
13	A"	3297	3081	7.16
14	A"	1064	994	1.06
15	A"	915	855	24.11
16	A"	638	596	0.31
17	A"	427	399	129.75
18	A"	261	244	2.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.663	-0.489	0.000
C2	0.000	0.645	0.000
C3	-0.653	1.785	0.000
O4	0.114	-1.753	0.000
H5	1.742	-0.528	0.000
H6	-0.934	2.279	0.922
H7	-0.934	2.279	-0.922
H8	-0.847	-1.653	0.000

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3142	2.6273	1.3774	1.0801	3.3259	3.3259	1.9059
C2	1.3142		1.3131	2.4010	2.1003	2.0951	2.0951	2.4495
C3	2.6273	1.3131		3.6199	3.3291	1.0827	1.0827	3.4434
O4	1.3774	2.4010	3.6199		2.0375	4.2665	4.2665	0.9661
H5	1.0801	2.1003	3.3291	2.0375		3.9858	3.9858	2.8229
H6	3.3259	2.0951	1.0827	4.2665	3.9858		1.8431	4.0395
H7	3.3259	2.0951	1.0827	4.2665	3.9858	1.8431		4.0395
H8	1.9059	2.4495	3.4434	0.9661	2.8229	4.0395	4.0395

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.523	C1	O4	H8	107.542
C2	C1	O4	126.248	C2	C1	H5	122.310
C2	C3	H6	121.668	C2	C3	H7	121.668
O4	C1	H5	111.442	H6	C3	H7	116.664

All results from a given calculation for C₃H₄O (allenol)

using model chemistry: MP2=FULL/6-31G**

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	0.141
2	C	-0.006
3	C	-0.335
4	O	-0.617
5	H	0.165
6	H	0.149
7	H	0.149
8	H	0.354

<r²>	88.144
(<r²>)^1/2	9.388

All results from a given calculation for C3H4O (allenol)

using model chemistry: MP2=FULL/6-31G**

States and conformations

All results from a given calculation for C₃H₄O (allenol)