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	hartrees
Energy at 0K	-189.694884
Energy at 298.15K	-189.698620
Nuclear repulsion energy	102.664379

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3373	3054	8.06
2	A'	3267	2958	19.18
3	A'	3199	2897	30.60
4	A'	2325	2106	758.13
5	A'	1681	1522	5.70
6	A'	1590	1440	12.34
7	A'	1543	1397	2.38
8	A'	1283	1162	8.55
9	A'	1204	1090	7.48
10	A'	951	861	6.09
11	A'	736	667	9.33
12	A'	253	229	3.40
13	A"	3251	2944	25.73
14	A"	1661	1504	8.53
15	A"	1191	1078	2.28
16	A"	742	672	125.01
17	A"	599	542	0.93
18	A"	149	135	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	-0.673	-0.373	0.000
C2	0.000	0.733	0.000
C3	1.518	0.790	0.000
O4	-1.277	-1.371	0.000
H5	-0.560	1.647	0.000
H6	1.951	-0.203	0.000
H7	1.877	1.313	0.879
H8	1.877	1.313	-0.879

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.2945	2.4800	1.1664	2.0232	2.6289	3.1802	3.1802
C2	1.2945		1.5187	2.4609	1.0722	2.1634	2.1519	2.1519
C3	2.4800	1.5187		3.5323	2.2478	1.0831	1.0840	1.0840
O4	1.1664	2.4609	3.5323		3.1019	3.4321	4.2329	4.2329
H5	2.0232	1.0722	2.2478	3.1019		3.1188	2.6120	2.6120
H6	2.6289	2.1634	1.0831	3.4321	3.1188		1.7537	1.7537
H7	3.1802	2.1519	1.0840	4.2329	2.6120	1.7537		1.7582
H8	3.1802	2.1519	1.0840	4.2329	2.6120	1.7537	1.7582

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.469	C1	C2	H5	117.181
C2	C1	O4	179.854	C2	C3	H6	111.410
C2	C3	H7	110.426	C2	C3	H8	110.426
C3	C2	H5	119.349	H6	C3	H7	108.044
H6	C3	H8	108.044	H7	C3	H8	108.388

All results from a given calculation for C₃H₄O (Methylketene)

using model chemistry: HF/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	0.542
2	C	-0.354
3	C	-0.585
4	O	-0.555
5	H	0.282
6	H	0.219
7	H	0.225
8	H	0.225

	x	y	z	Total
	1.314	1.771	0.000	2.205
CHELPG
AIM
ESP

	x	y	z
x	4.642	1.662	0.000
y	1.662	5.484	0.000
z	0.000	0.000	2.400

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H4O (Methylketene)

using model chemistry: HF/3-21G

States and conformations

All results from a given calculation for C₃H₄O (Methylketene)