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	hartrees
Energy at 0K	-191.821701
Energy at 298.15K	-191.825079
HF Energy	-191.821701
Nuclear repulsion energy	102.217650

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3249	3077	8.97
2	A'	3167	2999	13.37
3	A'	3078	2915	29.94
4	A'	2280	2159	664.82
5	A'	1544	1462	4.45
6	A'	1455	1378	1.96
7	A'	1438	1362	13.71
8	A'	1172	1110	0.39
9	A'	1103	1045	11.88
10	A'	924	875	3.20
11	A'	654	619	6.75
12	A'	209	198	2.28
13	A"	3146	2979	18.53
14	A"	1511	1431	5.75
15	A"	1066	1009	0.34
16	A"	574	544	74.44
17	A"	536	508	1.09
18	A"	115	109	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.672	-0.388	0.000
C2	0.000	0.743	0.000
C3	1.509	0.809	0.000
O4	-1.266	-1.390	0.000
H5	-0.594	1.651	0.000
H6	1.947	-0.192	0.000
H7	1.877	1.336	0.886
H8	1.877	1.336	-0.886

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3155	2.4878	1.1653	2.0397	2.6264	3.2019	3.2019
C2	1.3155		1.5105	2.4809	1.0845	2.1599	2.1583	2.1583
C3	2.4878	1.5105		3.5410	2.2653	1.0924	1.0944	1.0944
O4	1.1653	2.4809	3.5410		3.1142	3.4294	4.2538	4.2538
H5	2.0397	1.0845	2.2653	3.1142		3.1387	2.6435	2.6435
H6	2.6264	2.1599	1.0924	3.4294	3.1387		1.7676	1.7676
H7	3.2019	2.1583	1.0944	4.2538	2.6435	1.7676		1.7718
H8	3.2019	2.1583	1.0944	4.2538	2.6435	1.7676	1.7718

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.214	C1	C2	H5	116.068
C2	C1	O4	179.933	C2	C3	H6	111.138
C2	C3	H7	110.886	C2	C3	H8	110.886
C3	C2	H5	120.718	H6	C3	H7	107.853
H6	C3	H8	107.853	H7	C3	H8	108.090

All results from a given calculation for C₃H₄O (Methylketene)

using model chemistry: M06-2X/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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Number	Element	Mulliken
1	C	0.431
2	C	-0.297
3	C	-0.495
4	O	-0.390
5	H	0.211
6	H	0.178
7	H	0.181
8	H	0.181

	x	y	z	Total
	1.073	1.487	0.000	1.834
CHELPG
AIM
ESP

	x	y	z
x	5.221	1.701	0.000
y	1.701	5.949	0.000
z	0.000	0.000	2.990

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H4O (Methylketene)

using model chemistry: M06-2X/6-31G*

States and conformations

All results from a given calculation for C₃H₄O (Methylketene)