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	hartrees
Energy at 0K	-191.808782
Energy at 298.15K	-191.812053
HF Energy	-191.808782
Nuclear repulsion energy	101.357836

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3146	3092	5.97
2	A	3082	3029	19.79
3	A	3041	2988	22.92
4	A	2981	2930	49.42
5	A	2155	2117	601.80
6	A	1485	1459	6.59
7	A	1461	1436	6.50
8	A	1393	1369	15.51
9	A	1375	1352	1.63
10	A	1130	1111	0.73
11	A	1057	1039	11.49
12	A	1030	1013	0.17
13	A	885	870	3.20
14	A	628	617	5.39
15	A	501	493	67.35
16	A	483	475	0.01
17	A	202	198	1.66
18	A	130	128	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	-0.768	0.132	-0.000
C2	0.478	0.575	-0.000
C3	1.693	-0.337	0.000
O4	-1.881	-0.271	0.000
H5	0.602	1.658	0.000
H6	1.398	-1.393	-0.000
H7	2.315	-0.160	-0.890
H8	2.314	-0.161	0.890

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3227	2.5049	1.1831	2.0505	2.6492	3.2218	3.2217
C2	1.3227		1.5183	2.5058	1.0899	2.1722	2.1689	2.1689
C3	2.5049	1.5183		3.5738	2.2729	1.0967	1.0998	1.0998
O4	1.1831	2.5058	3.5738		3.1435	3.4655	4.2900	4.2898
H5	2.0505	1.0899	2.2729	3.1435		3.1528	2.6514	2.6514
H6	2.6492	2.1722	1.0967	3.4655	3.1528		1.7750	1.7750
H7	3.2218	2.1689	1.0998	4.2900	2.6514	1.7750		1.7794
H8	3.2217	2.1689	1.0998	4.2898	2.6514	1.7750	1.7794

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.576	C1	C2	H5	116.139
C2	C1	O4	179.237	C2	C3	H6	111.259
C2	C3	H7	110.982	C2	C3	H8	110.984
C3	C2	H5	120.285	H6	C3	H7	107.747
H6	C3	H8	107.748	H7	C3	H8	107.968

All results from a given calculation for C₃H₄O (Methylketene)

using model chemistry: B97D3/6-31+G**

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	0.256
2	C	0.037
3	C	-0.558
4	O	-0.422
5	H	0.185
6	H	0.163
7	H	0.169
8	H	0.169

	x	y	z	Total
	1.978	0.441	0.000	2.027
CHELPG
AIM
ESP

	x	y	z
x	8.421	0.788	0.000
y	0.788	4.640	0.000
z	0.000	0.000	4.240

<r²>	88.455
(<r²>)^1/2	9.405

All results from a given calculation for C3H4O (Methylketene)

using model chemistry: B97D3/6-31+G**

States and conformations

All results from a given calculation for C₃H₄O (Methylketene)