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	hartrees
Energy at 0K	-190.830815
Energy at 298.15K	-190.834489
Nuclear repulsion energy	103.448197

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3336	3031	6.68
2	A'	3233	2938	26.61
3	A'	3163	2874	42.08
4	A'	2343	2129	1112.26
5	A'	1632	1483	4.55
6	A'	1547	1406	7.52
7	A'	1534	1393	11.15
8	A'	1236	1123	0.55
9	A'	1179	1072	6.93
10	A'	955	867	5.09
11	A'	714	649	6.73
12	A'	235	213	3.70
13	A"	3213	2919	27.31
14	A"	1599	1453	5.66
15	A"	1152	1047	2.25
16	A"	650	591	54.50
17	A"	581	528	17.74
18	A"	167	152	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.674	-0.381	0.000
C2	0.000	0.732	0.000
C3	1.509	0.784	0.000
O4	-1.264	-1.354	0.000
H5	-0.588	1.629	0.000
H6	1.935	-0.211	0.000
H7	1.878	1.302	0.877
H8	1.878	1.302	-0.877

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3010	2.4745	1.1380	2.0111	2.6151	3.1804	3.1804
C2	1.3010		1.5100	2.4390	1.0725	2.1526	2.1495	2.1495
C3	2.4745	1.5100		3.5014	2.2612	1.0820	1.0832	1.0832
O4	1.1380	2.4390	3.5014		3.0582	3.3972	4.2066	4.2066
H5	2.0111	1.0725	2.2612	3.0582		3.1228	2.6377	2.6377
H6	2.6151	2.1526	1.0820	3.3972	3.1228		1.7496	1.7496
H7	3.1804	2.1495	1.0832	4.2066	2.6377	1.7496		1.7532
H8	3.1804	2.1495	1.0832	4.2066	2.6377	1.7496	1.7532

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.191	C1	C2	H5	115.512
C2	C1	O4	179.982	C2	C3	H6	111.221
C2	C3	H7	110.901	C2	C3	H8	110.901
C3	C2	H5	121.298	H6	C3	H7	107.812
H6	C3	H8	107.812	H7	C3	H8	108.052

All results from a given calculation for C₃H₄O (Methylketene)

using model chemistry: HF/6-311+G(3df,2p)

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	0.924
2	C	-0.280
3	C	-0.380
4	O	-0.768
5	H	0.129
6	H	0.121
7	H	0.127
8	H	0.127

	x	y	z	Total
	1.234	1.596	0.000	2.017
CHELPG
AIM
ESP

	x	y	z
x	5.977	1.574	0.000
y	1.574	6.451	0.000
z	0.000	0.000	4.375

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H4O (Methylketene)

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₃H₄O (Methylketene)