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	hartrees
Energy at 0K	-190.949892
Energy at 298.15K	-190.953227
Nuclear repulsion energy	102.624812

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3108	3074	13.34
2	A'	3062	3028	8.13
3	A'	2962	2930	28.79
4	A'	2225	2200	586.28
5	A'	1445	1429	4.58
6	A'	1383	1367	5.99
7	A'	1343	1328	7.59
8	A'	1118	1105	0.17
9	A'	1045	1033	10.33
10	A'	897	887	4.95
11	A'	638	631	5.85
12	A'	193	191	1.27
13	A"	3020	2987	9.15
14	A"	1405	1390	8.41
15	A"	1004	993	0.00
16	A"	547	541	38.50
17	A"	493	488	26.61
18	A"	146	144	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.661	-0.391	0.000
C2	0.000	0.734	0.000
C3	1.487	0.823	0.000
O4	-1.251	-1.397	0.000
H5	-0.613	1.638	0.000
H6	1.947	-0.173	0.000
H7	1.858	1.357	0.888
H8	1.858	1.357	-0.888

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3049	2.4671	1.1657	2.0298	2.6175	3.1920	3.1920
C2	1.3049		1.4894	2.4707	1.0925	2.1484	2.1513	2.1513
C3	2.4671	1.4894		3.5241	2.2528	1.0973	1.1005	1.1005
O4	1.1657	2.4707	3.5241		3.1012	3.4240	4.2466	4.2466
H5	2.0298	1.0925	2.2528	3.1012		3.1366	2.6409	2.6409
H6	2.6175	2.1484	1.0973	3.4240	3.1366		1.7712	1.7712
H7	3.1920	2.1513	1.1005	4.2466	2.6409	1.7712		1.7755
H8	3.1920	2.1513	1.1005	4.2466	2.6409	1.7712	1.7755

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.851	C1	C2	H5	115.416
C2	C1	O4	179.937	C2	C3	H6	111.405
C2	C3	H7	111.447	C2	C3	H8	111.447
C3	C2	H5	120.733	H6	C3	H7	107.390
H6	C3	H8	107.390	H7	C3	H8	107.541

All results from a given calculation for C₃H₄O (Methylketene)

using model chemistry: LSDA/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	0.221
2	C	-0.324
3	C	-0.311
4	O	-0.123
5	H	0.169
6	H	0.117
7	H	0.126
8	H	0.126

	x	y	z	Total
	1.095	1.467	0.000	1.831
CHELPG
AIM
ESP

	x	y	z
x	6.262	1.760	0.000
y	1.760	6.727	0.000
z	0.000	0.000	3.991

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H4O (Methylketene)

using model chemistry: LSDA/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₄O (Methylketene)