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	hartrees
Energy at 0K	-191.306022
Energy at 298.15K	-191.309463
HF Energy	-190.728179
Nuclear repulsion energy	101.202348

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3816	3634	43.98
2	A'	3247	3093	4.38
3	A'	3157	3007	12.53
4	A'	2050	1953	46.66
5	A'	1506	1435	56.13
6	A'	1424	1357	50.10
7	A'	1311	1249	12.99
8	A'	1203	1146	115.75
9	A'	995	947	96.46
10	A'	905	862	32.09
11	A'	613	584	21.41
12	A'	205	196	0.66
13	A"	3251	3096	5.10
14	A"	1034	985	1.52
15	A"	898	856	26.44
16	A"	629	599	0.40
17	A"	441	420	109.16
18	A"	249	237	3.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.662	-0.502	0.000
C2	0.000	0.648	0.000
C3	-0.656	1.800	0.000
O4	0.116	-1.763	0.000
H5	1.755	-0.533	0.000
H6	-0.936	2.299	0.936
H7	-0.936	2.299	-0.936
H8	-0.846	-1.645	0.000

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3269	2.6524	1.3741	1.0943	3.3580	3.3580	1.8922
C2	1.3269		1.3256	2.4143	2.1158	2.1164	2.1164	2.4447
C3	2.6524	1.3256		3.6460	3.3553	1.0974	1.0974	3.4507
O4	1.3741	2.4143	3.6460		2.0494	4.2998	4.2998	0.9697
H5	1.0943	2.1158	3.3553	2.0494		4.0179	4.0179	2.8294
H6	3.3580	2.1164	1.0974	4.2998	4.0179		1.8726	4.0552
H7	3.3580	2.1164	1.0974	4.2998	4.0179	1.8726		4.0552
H8	1.8922	2.4447	3.4507	0.9697	2.8294	4.0552	4.0552

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.759	C1	O4	H8	106.397
C2	C1	O4	126.717	C2	C1	H5	121.529
C2	C3	H6	121.441	C2	C3	H7	121.441
O4	C1	H5	111.754	H6	C3	H7	117.116

All results from a given calculation for C₃H₄O (allenol)

using model chemistry: MP2/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	0.114
2	C	-0.204
3	C	-0.029
4	O	-0.294
5	H	0.080
6	H	0.079
7	H	0.079
8	H	0.175

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H4O (allenol)

using model chemistry: MP2/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₄O (allenol)