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	hartrees
Energy at 0K	-191.779440
Energy at 298.15K	-191.773682
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3201	3074	5.33
2	A'	3131	3007	18.50
3	A'	3042	2921	40.53
4	A'	2227	2138	584.44
5	A'	1539	1478	4.67
6	A'	1445	1387	14.13
7	A'	1429	1372	2.68
8	A'	1166	1120	0.59
9	A'	1095	1051	11.57
10	A'	909	873	2.97
11	A'	646	620	6.27
12	A'	210	202	2.15
13	A"	3093	2970	27.59
14	A"	1513	1453	5.13
15	A"	1065	1023	0.11
16	A"	540	519	65.62
17	A"	513	493	0.81
18	A"	147	141	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.672	-0.389	0.000
C2	0.000	0.742	0.000
C3	1.512	0.818	0.000
O4	-1.271	-1.400	0.000
H5	-0.594	1.652	0.000
H6	1.963	-0.178	0.000
H7	1.880	1.350	0.886
H8	1.880	1.350	-0.886

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3159	2.4954	1.1748	2.0427	2.6434	3.2129	3.2129
C2	1.3159		1.5137	2.4907	1.0864	2.1680	2.1653	2.1653
C3	2.4954	1.5137		3.5586	2.2644	1.0939	1.0970	1.0970
O4	1.1748	2.4907	3.5586		3.1262	3.4569	4.2750	4.2750
H5	2.0427	1.0864	2.2644	3.1262		3.1442	2.6445	2.6445
H6	2.6434	2.1680	1.0939	3.4569	3.1442		1.7688	1.7688
H7	3.2129	2.1653	1.0970	4.2750	2.6445	1.7688		1.7717
H8	3.2129	2.1653	1.0970	4.2750	2.6445	1.7688	1.7717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.594	C1	C2	H5	116.172
C2	C1	O4	179.937	C2	C3	H6	111.476
C2	C3	H7	111.069	C2	C3	H8	111.069
C3	C2	H5	120.234	H6	C3	H7	107.668
H6	C3	H8	107.668	H7	C3	H8	107.715

All results from a given calculation for C₃H₄O (Methylketene)

using model chemistry: G3B3

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	0.416
2	C	-0.249
3	C	-0.457
4	O	-0.383
5	H	0.182
6	H	0.162
7	H	0.165
8	H	0.165

	x	y	z	Total
	1.075	1.492	0.000	1.839
CHELPG
AIM
ESP

<r²>	87.463
(<r²>)^1/2	9.352

All results from a given calculation for C3H4O (Methylketene)

using model chemistry: G3B3

States and conformations

All results from a given calculation for C₃H₄O (Methylketene)