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	hartrees
Energy at 0K	-34.652049
Energy at 298.15K	-34.655195
HF Energy	-34.305284
Nuclear repulsion energy	52.814155

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3666	3542	24.30
2	A'	3251	3142	7.76
3	A'	3126	3020	24.57
4	A'	1974	1907	27.78
5	A'	1508	1458	9.02
6	A'	1388	1341	52.01
7	A'	1239	1198	1.00
8	A'	1139	1100	97.59
9	A'	923	892	196.11
10	A'	900	870	26.32
11	A'	546	527	24.92
12	A'	184	178	0.16
13	A"	3225	3116	21.24
14	A"	1046	1011	0.88
15	A"	873	843	48.15
16	A"	586	566	1.32
17	A"	382	369	188.24
18	A"	189	183	6.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.700	-0.503	0.000
C2	0.000	0.671	0.000
C3	-0.680	1.863	0.000
O4	0.110	-1.822	0.000
H5	1.793	-0.570	0.000
H6	-0.961	2.361	0.943
H7	-0.961	2.361	-0.943
H8	-0.878	-1.766	0.000

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3674	2.7393	1.4452	1.0948	3.4432	3.4432	2.0212
C2	1.3674		1.3720	2.4959	2.1812	2.1609	2.1609	2.5906
C3	2.7393	1.3720		3.7691	3.4695	1.1031	1.1031	3.6347
O4	1.4452	2.4959	3.7691		2.0974	4.4204	4.4204	0.9894
H5	1.0948	2.1812	3.4695	2.0974		4.1319	4.1319	2.9261
H6	3.4432	2.1609	1.1031	4.4204	4.1319		1.8859	4.2346
H7	3.4432	2.1609	1.1031	4.4204	4.1319	1.8859		4.2346
H8	2.0212	2.5906	3.6347	0.9894	2.9261	4.2346	4.2346

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	178.878	C1	O4	H8	110.853
C2	C1	O4	125.082	C2	C1	H5	124.346
C2	C3	H6	121.257	C2	C3	H7	121.257
O4	C1	H5	110.572	H6	C3	H7	117.485

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	0.092
2	C	-0.271
3	C	-0.220
4	O	-0.553
5	H	0.221
6	H	0.172
7	H	0.172
8	H	0.386

<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)