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	hartrees
Energy at 0K	-191.843288
Energy at 298.15K	-191.846661
Nuclear repulsion energy	102.120409

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3219	3079	8.24
2	A'	3155	3019	14.81
3	A'	3056	2924	38.84
4	A'	2234	2137	696.00
5	A'	1511	1446	6.33
6	A'	1426	1364	1.96
7	A'	1414	1352	13.40
8	A'	1157	1107	0.53
9	A'	1082	1035	10.15
10	A'	911	871	3.74
11	A'	645	617	6.19
12	A'	206	197	2.07
13	A"	3122	2986	16.39
14	A"	1483	1419	7.79
15	A"	1049	1003	0.35
16	A"	546	523	65.35
17	A"	506	484	6.54
18	A"	140	134	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.667	-0.393	0.000
C2	0.000	0.739	0.000
C3	1.504	0.825	0.000
O4	-1.263	-1.402	0.000
H5	-0.606	1.639	0.000
H6	1.960	-0.166	0.000
H7	1.865	1.357	0.884
H8	1.865	1.357	-0.884

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3138	2.4893	1.1713	2.0323	2.6368	3.2028	3.2028
C2	1.3138		1.5061	2.4851	1.0848	2.1585	2.1547	2.1547
C3	2.4893	1.5061		3.5511	2.2610	1.0909	1.0936	1.0936
O4	1.1713	2.4851	3.5511		3.1102	3.4511	4.2633	4.2633
H5	2.0323	1.0848	2.2610	3.1102		3.1367	2.6394	2.6394
H6	2.6368	2.1585	1.0909	3.4511	3.1367		1.7640	1.7640
H7	3.2028	2.1547	1.0936	4.2633	2.6394	1.7640		1.7686
H8	3.2028	2.1547	1.0936	4.2633	2.6394	1.7640	1.7686

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.814	C1	C2	H5	115.509
C2	C1	O4	179.988	C2	C3	H6	111.427
C2	C3	H7	110.959	C2	C3	H8	110.959
C3	C2	H5	120.678	H6	C3	H7	107.708
H6	C3	H8	107.708	H7	C3	H8	107.921

All results from a given calculation for C₃H₄O (Methylketene)

using model chemistry: B1B95/6-31+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	0.300
2	C	0.005
3	C	-0.571
4	O	-0.443
5	H	0.194
6	H	0.168
7	H	0.174
8	H	0.174

	x	y	z	Total
	1.228	1.613	0.000	2.027
CHELPG
AIM
ESP

	x	y	z
x	5.823	1.920	0.000
y	1.920	6.728	0.000
z	0.000	0.000	4.060

<r²>	87.417
(<r²>)^1/2	9.350

All results from a given calculation for C3H4O (Methylketene)

using model chemistry: B1B95/6-31+G**

States and conformations

All results from a given calculation for C₃H₄O (Methylketene)