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	hartrees
Energy at 0K	-189.827286
Energy at 298.15K	-189.830758
Nuclear repulsion energy	101.667123

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3124	3068	12.56
2	A'	3075	3019	8.44
3	A'	2977	2923	23.32
4	A'	2214	2174	377.35
5	A'	1507	1480	10.72
6	A'	1413	1388	9.03
7	A'	1385	1360	0.59
8	A'	1164	1143	3.20
9	A'	1078	1058	17.47
10	A'	908	892	4.50
11	A'	669	657	7.29
12	A'	218	214	0.84
13	A"	3038	2983	12.59
14	A"	1489	1462	12.78
15	A"	1046	1027	0.28
16	A"	630	619	74.37
17	A"	527	517	21.66
18	A"	147	144	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.664	-0.387	0.000
C2	0.000	0.738	0.000
C3	1.499	0.830	0.000
O4	-1.265	-1.415	0.000
H5	-0.584	1.665	0.000
H6	1.963	-0.171	0.000
H7	1.861	1.369	0.895
H8	1.861	1.369	-0.895

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3058	2.4817	1.1907	2.0535	2.6356	3.2029	3.2029
C2	1.3058		1.5022	2.4966	1.0957	2.1633	2.1596	2.1596
C3	2.4817	1.5022		3.5606	2.2443	1.1028	1.1058	1.1058
O4	1.1907	2.4966	3.5606		3.1542	3.4592	4.2803	4.2803
H5	2.0535	1.0957	2.2443	3.1542		3.1396	2.6204	2.6204
H6	2.6356	2.1633	1.1028	3.4592	3.1396		1.7839	1.7839
H7	3.2029	2.1596	1.1058	4.2803	2.6204	1.7839		1.7902
H8	3.2029	2.1596	1.1058	4.2803	2.6204	1.7839	1.7902

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.050	C1	C2	H5	117.270
C2	C1	O4	179.774	C2	C3	H6	111.360
C2	C3	H7	110.881	C2	C3	H8	110.881
C3	C2	H5	118.680	H6	C3	H7	107.742
H6	C3	H8	107.742	H7	C3	H8	108.087

All results from a given calculation for C₃H₄O (Methylketene)

using model chemistry: LSDA/3-21G*

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	0.360
2	C	-0.283
3	C	-0.657
4	O	-0.386
5	H	0.262
6	H	0.230
7	H	0.237
8	H	0.237

	x	y	z	Total
	1.068	1.448	0.000	1.799
CHELPG
AIM
ESP

	x	y	z
x	4.972	1.697	0.000
y	1.697	5.702	0.000
z	0.000	0.000	2.543

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H4O (Methylketene)

using model chemistry: LSDA/3-21G*

States and conformations

All results from a given calculation for C₃H₄O (Methylketene)