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	hartrees
Energy at 0K	-190.835310
Energy at 298.15K	-190.838972
HF Energy	-190.835310
Nuclear repulsion energy	103.416698

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3338	3020	6.41
2	A	3234	2926	26.55
3	A	3213	2907	27.78
4	A	3164	2862	43.02
5	A	2337	2114	1107.29
6	A	1632	1476	4.34
7	A	1599	1446	5.52
8	A	1547	1399	7.48
9	A	1533	1387	11.48
10	A	1235	1117	0.64
11	A	1180	1067	6.75
12	A	1154	1044	2.25
13	A	954	863	4.92
14	A	713	645	6.54
15	A	648	586	55.62
16	A	580	525	16.58
17	A	234	212	3.65
18	A	168	152	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.764	0.123	0.000
C2	0.457	0.572	0.000
C3	1.668	-0.329	-0.000
O4	-1.833	-0.270	-0.000
H5	0.556	1.640	-0.000
H6	1.380	-1.372	-0.000
H7	2.280	-0.153	-0.876
H8	2.280	-0.153	0.877

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3013	2.4741	1.1394	2.0111	2.6139	3.1799	3.1799
C2	1.3013		1.5096	2.4406	1.0723	2.1518	2.1488	2.1489
C3	2.4741	1.5096		3.5022	2.2611	1.0819	1.0831	1.0831
O4	1.1394	2.4406	3.5022		3.0595	3.3969	4.2074	4.2073
H5	2.0111	1.0723	2.2611	3.0595		3.1222	2.6372	2.6373
H6	2.6139	2.1518	1.0819	3.3969	3.1222		1.7498	1.7498
H7	3.1799	2.1488	1.0831	4.2074	2.6372	1.7498		1.7530
H8	3.1799	2.1489	1.0831	4.2073	2.6373	1.7498	1.7530

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.163	C1	C2	H5	115.497
C2	C1	O4	179.979	C2	C3	H6	111.197
C2	C3	H7	110.882	C2	C3	H8	110.883
C3	C2	H5	121.340	H6	C3	H7	107.847
H6	C3	H8	107.848	H7	C3	H8	108.045

All results from a given calculation for C₃H₄O (Methylketene)

using model chemistry: HF/daug-cc-pVTZ

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	0.307
2	C	0.048
3	C	-0.996
4	O	-1.015
5	H	0.643
6	H	0.374
7	H	0.319
8	H	0.319

	x	y	z	Total
	1.952	0.472	0.000	2.008
CHELPG
AIM
ESP

	x	y	z
x	7.782	0.552	0.000
y	0.552	4.855	0.000
z	0.000	0.000	4.452

<r²>	85.847
(<r²>)^1/2	9.265

All results from a given calculation for C3H4O (Methylketene)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₄O (Methylketene)