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	hartrees
Energy at 0K	-190.807770
Energy at 298.15K	-190.811121
Nuclear repulsion energy	101.394636

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3138	3074	10.34
2	A'	3092	3029	11.62
3	A'	2980	2919	32.57
4	A'	2178	2134	438.25
5	A'	1488	1458	9.91
6	A'	1405	1376	8.71
7	A'	1388	1360	2.42
8	A'	1159	1135	2.40
9	A'	1072	1051	18.53
10	A'	912	893	3.33
11	A'	626	613	7.51
12	A'	203	199	1.42
13	A"	3051	2989	16.67
14	A"	1467	1437	12.94
15	A"	1038	1017	0.23
16	A"	598	586	80.49
17	A"	465	456	0.22
18	A"	142	139	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.660	-0.396	0.000
C2	0.000	0.739	0.000
C3	1.493	0.848	0.000
O4	-1.260	-1.431	0.000
H5	-0.600	1.657	0.000
H6	1.976	-0.143	0.000
H7	1.854	1.393	0.892
H8	1.854	1.393	-0.892

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3134	2.4872	1.1965	2.0536	2.6489	3.2124	3.2124
C2	1.3134		1.4973	2.5100	1.0962	2.1643	2.1589	2.1589
C3	2.4872	1.4973		3.5748	2.2443	1.1023	1.1055	1.1055
O4	1.1965	2.5100	3.5748		3.1576	3.4840	4.2981	4.2981
H5	2.0536	1.0962	2.2443	3.1576		3.1427	2.6248	2.6248
H6	2.6489	2.1643	1.1023	3.4840	3.1427		1.7798	1.7798
H7	3.2124	2.1589	1.1055	4.2981	2.6248	1.7798		1.7832
H8	3.2124	2.1589	1.1055	4.2981	2.6248	1.7798	1.7832

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.346	C1	C2	H5	116.625
C2	C1	O4	179.934	C2	C3	H6	111.825
C2	C3	H7	111.196	C2	C3	H8	111.196
C3	C2	H5	119.029	H6	C3	H7	107.446
H6	C3	H8	107.446	H7	C3	H8	107.515

All results from a given calculation for C₃H₄O (Methylketene)

using model chemistry: LSDA/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	0.227
2	C	-0.186
3	C	-0.534
4	O	-0.284
5	H	0.210
6	H	0.186
7	H	0.190
8	H	0.190

	x	y	z	Total
	1.299	1.825	0.000	2.240
CHELPG
AIM
ESP

	x	y	z
x	5.274	1.883	0.000
y	1.883	6.214	0.000
z	0.000	0.000	2.843

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H4O (Methylketene)

using model chemistry: LSDA/6-31G

States and conformations

All results from a given calculation for C₃H₄O (Methylketene)