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	hartrees
Energy at 0K	-191.845686
Energy at 298.15K	-191.848978
HF Energy	-191.845686
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3241	3074	6.71
2	A	3158	2995	17.90
3	A	3136	2975	24.14
4	A	3069	2911	37.14
5	A	2265	2148	643.65
6	A	1540	1461	5.23
7	A	1515	1437	6.72
8	A	1452	1377	1.92
9	A	1445	1371	11.93
10	A	1179	1118	0.75
11	A	1103	1046	10.69
12	A	1064	1010	0.21
13	A	918	871	3.58
14	A	654	620	6.76
15	A	550	522	67.10
16	A	512	486	9.15
17	A	211	200	2.35
18	A	83	79	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.766	0.126	-0.000
C2	0.472	0.572	-0.000
C3	1.682	-0.333	0.000
O4	-1.864	-0.268	0.000
H5	0.592	1.651	0.000
H6	1.392	-1.387	-0.001
H7	2.301	-0.156	-0.886
H8	2.301	-0.157	0.887

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3153	2.4909	1.1671	2.0419	2.6357	3.2053	3.2049
C2	1.3153		1.5118	2.4824	1.0854	2.1650	2.1598	2.1598
C3	2.4909	1.5118		3.5472	2.2637	1.0935	1.0955	1.0955
O4	1.1671	2.4824	3.5472		3.1174	3.4432	4.2604	4.2599
H5	2.0419	1.0854	2.2637	3.1174		3.1417	2.6407	2.6407
H6	2.6357	2.1650	1.0935	3.4432	3.1417		1.7684	1.7684
H7	3.2053	2.1598	1.0955	4.2604	2.6407	1.7684		1.7731
H8	3.2049	2.1598	1.0955	4.2599	2.6407	1.7684	1.7731

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.394	C1	C2	H5	116.212
C2	C1	O4	179.933	C2	C3	H6	111.387
C2	C3	H7	110.852	C2	C3	H8	110.856
C3	C2	H5	120.394	H6	C3	H7	107.774
H6	C3	H8	107.775	H7	C3	H8	108.052

All results from a given calculation for C₃H₄O (Methylketene)

using model chemistry: wB97X-D/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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	0.446
2	C	-0.306
3	C	-0.512
4	O	-0.394
5	H	0.214
6	H	0.183
7	H	0.185
8	H	0.185

	x	y	z	Total
	1.806	0.470	0.000	1.866
CHELPG
AIM
ESP

	x	y	z
x	7.221	0.705	0.000
y	0.705	3.999	0.000
z	0.000	0.000	3.003

<r²>	86.992
(<r²>)^1/2	9.327

All results from a given calculation for C3H4O (Methylketene)

using model chemistry: wB97X-D/6-31G*

States and conformations

All results from a given calculation for C₃H₄O (Methylketene)