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	hartrees
Energy at 0K	-191.335463
Energy at 298.15K	-191.338811
HF Energy	-190.727676
Nuclear repulsion energy	101.654203

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3912	3686	40.70
2	A'	3291	3101	3.78
3	A'	3202	3017	12.45
4	A'	2088	1968	34.79
5	A'	1551	1462	39.27
6	A'	1454	1370	61.44
7	A'	1300	1225	6.50
8	A'	1219	1149	115.87
9	A'	1005	947	127.64
10	A'	933	879	36.64
11	A'	616	580	25.96
12	A'	201	190	0.28
13	A"	3286	3097	5.59
14	A"	1063	1002	2.38
15	A"	906	854	27.47
16	A"	627	591	0.01
17	A"	353	333	131.36
18	A"	242	228	7.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.667	-0.489	0.000
C2	0.000	0.645	0.000
C3	-0.654	1.788	0.000
O4	0.111	-1.754	0.000
H5	1.746	-0.528	0.000
H6	-0.933	2.280	0.924
H7	-0.933	2.280	-0.924
H8	-0.849	-1.674	0.000

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3155	2.6321	1.3816	1.0803	3.3286	3.3286	1.9240
C2	1.3155		1.3166	2.4018	2.1041	2.0969	2.0969	2.4699
C3	2.6321	1.3166		3.6237	3.3357	1.0835	1.0835	3.4678
O4	1.3816	2.4018	3.6237		2.0431	4.2682	4.2682	0.9636
H5	1.0803	2.1041	3.3357	2.0431		3.9901	3.9901	2.8367
H6	3.3286	2.0969	1.0835	4.2682	3.9901		1.8482	4.0615
H7	3.3286	2.0969	1.0835	4.2682	3.9901	1.8482		4.0615
H8	1.9240	2.4699	3.4678	0.9636	2.8367	4.0615	4.0615

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.323	C1	O4	H8	108.948
C2	C1	O4	125.854	C2	C1	H5	122.557
C2	C3	H6	121.472	C2	C3	H7	121.472
O4	C1	H5	111.589	H6	C3	H7	117.056

All results from a given calculation for C₃H₄O (allenol)

using model chemistry: CCD/6-31+G**

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	-0.044
2	C	-0.230
3	C	-0.031
4	O	-0.559
5	H	0.173
6	H	0.160
7	H	0.160
8	H	0.371

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H4O (allenol)

using model chemistry: CCD/6-31+G**

States and conformations

All results from a given calculation for C₃H₄O (allenol)