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	hartrees
Energy at 0K	-34.911861
Energy at 298.15K	-34.915099
HF Energy	-34.385396
Nuclear repulsion energy	53.792863

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3773	3582	38.33
2	A'	3261	3096	5.51
3	A'	3165	3005	16.73
4	A'	2042	1939	43.96
5	A'	1507	1430	39.03
6	A'	1417	1345	73.36
7	A'	1275	1211	11.33
8	A'	1186	1126	131.93
9	A'	980	931	122.54
10	A'	861	817	55.44
11	A'	582	553	22.19
12	A'	191	181	0.28
13	A"	3259	3094	9.34
14	A"	1012	960	1.84
15	A"	865	822	42.08
16	A"	600	570	0.09
17	A"	417	396	137.49
18	A"	204	193	6.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.681	-0.514	0.000
C2	0.000	0.654	0.000
C3	-0.664	1.834	0.000
O4	0.108	-1.785	0.000
H5	1.773	-0.563	0.000
H6	-0.940	2.329	0.940
H7	-0.940	2.329	-0.940
H8	-0.863	-1.662	0.000

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3519	2.7061	1.3941	1.0930	3.4052	3.4052	1.9241
C2	1.3519		1.3543	2.4412	2.1506	2.1389	2.1389	2.4715
C3	2.7061	1.3543		3.7007	3.4187	1.0980	1.0980	3.5020
O4	1.3941	2.4412	3.7007		2.0646	4.3485	4.3485	0.9790
H5	1.0930	2.1506	3.4187	2.0646		4.0757	4.0757	2.8556
H6	3.4052	2.1389	1.0980	4.3485	4.0757		1.8810	4.1013
H7	3.4052	2.1389	1.0980	4.3485	4.0757	1.8810		4.1013
H8	1.9241	2.4715	3.5020	0.9790	2.8556	4.1013	4.1013

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.110	C1	O4	H8	107.045
C2	C1	O4	125.496	C2	C1	H5	122.849
C2	C3	H6	121.071	C2	C3	H7	121.071
O4	C1	H5	111.655	H6	C3	H7	117.858

All results from a given calculation for C₃H₄O (allenol)

using model chemistry: MP2/CEP-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	0.013
2	C	-0.228
3	C	-0.288
4	O	-0.519
5	H	0.223
6	H	0.185
7	H	0.185
8	H	0.430

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H4O (allenol)

using model chemistry: MP2/CEP-31G*

States and conformations

All results from a given calculation for C₃H₄O (allenol)