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	hartrees
Energy at 0K	-191.932834
Energy at 298.15K	-191.936188
HF Energy	-191.932834
Nuclear repulsion energy	101.668409

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3204	3084	5.88
2	A	3136	3018	19.07
3	A	3097	2981	21.83
4	A	3039	2925	44.48
5	A	2190	2108	647.11
6	A	1528	1470	6.04
7	A	1504	1448	5.98
8	A	1430	1376	15.90
9	A	1409	1356	2.07
10	A	1157	1113	0.82
11	A	1083	1042	10.55
12	A	1055	1015	0.59
13	A	901	867	3.08
14	A	638	614	5.47
15	A	527	507	69.91
16	A	501	482	0.03
17	A	207	199	1.86
18	A	141	136	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	-0.769	0.132	-0.000
C2	0.475	0.575	-0.000
C3	1.688	-0.336	0.000
O4	-1.871	-0.271	0.000
H5	0.598	1.654	0.000
H6	1.393	-1.388	-0.000
H7	2.308	-0.161	-0.886
H8	2.307	-0.161	0.887

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3210	2.5020	1.1733	2.0460	2.6429	3.2158	3.2155
C2	1.3210		1.5167	2.4943	1.0860	2.1662	2.1644	2.1644
C3	2.5020	1.5167		3.5604	2.2683	1.0928	1.0956	1.0956
O4	1.1733	2.4943	3.5604		3.1311	3.4498	4.2736	4.2732
H5	2.0460	1.0860	2.2683	3.1311		3.1433	2.6455	2.6457
H6	2.6429	2.1662	1.0928	3.4498	3.1433		1.7689	1.7689
H7	3.2158	2.1644	1.0956	4.2736	2.6455	1.7689		1.7734
H8	3.2155	2.1644	1.0956	4.2732	2.6457	1.7689	1.7734

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.550	C1	C2	H5	116.083
C2	C1	O4	179.473	C2	C3	H6	111.180
C2	C3	H7	110.867	C2	C3	H8	110.870
C3	C2	H5	120.367	H6	C3	H7	107.861
H6	C3	H8	107.861	H7	C3	H8	108.066

All results from a given calculation for C₃H₄O (Methylketene)

using model chemistry: TPSSh/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	0.228
2	C	0.046
3	C	-0.547
4	O	-0.428
5	H	0.195
6	H	0.166
7	H	0.170
8	H	0.170

	x	y	z	Total
	1.985	0.444	0.000	2.035
CHELPG
AIM
ESP

	x	y	z
x	8.205	0.797	0.000
y	0.797	4.516	0.000
z	0.000	0.000	4.113

<r²>	88.013
(<r²>)^1/2	9.382

All results from a given calculation for C3H4O (Methylketene)

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

States and conformations

All results from a given calculation for C₃H₄O (Methylketene)