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	hartrees
Energy at 0K	-190.651119
Energy at 298.15K	-190.654671
HF Energy	-190.651119
Nuclear repulsion energy	101.748449

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3222	3104	8.80
2	A'	3154	3038	12.35
3	A'	3063	2951	27.61
4	A'	2228	2146	456.58
5	A'	1569	1511	8.49
6	A'	1471	1417	8.74
7	A'	1428	1376	1.46
8	A'	1198	1154	4.42
9	A'	1118	1077	13.74
10	A'	916	882	3.94
11	A'	686	661	7.19
12	A'	229	221	1.30
13	A"	3123	3008	18.19
14	A"	1552	1495	10.44
15	A"	1093	1053	0.02
16	A"	650	626	89.59
17	A"	550	530	12.09
18	A"	144	138	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.672	-0.382	0.000
C2	0.000	0.743	0.000
C3	1.511	0.812	0.000
O4	-1.270	-1.399	0.000
H5	-0.578	1.662	0.000
H6	1.951	-0.190	0.000
H7	1.875	1.341	0.889
H8	1.875	1.341	-0.889

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3097	2.4883	1.1802	2.0456	2.6304	3.2013	3.2013
C2	1.3097		1.5129	2.4899	1.0858	2.1629	2.1601	2.1601
C3	2.4883	1.5129		3.5531	2.2555	1.0945	1.0969	1.0969
O4	1.1802	2.4899	3.5531		3.1382	3.4408	4.2654	4.2654
H5	2.0456	1.0858	2.2555	3.1382		3.1348	2.6291	2.6291
H6	2.6304	2.1629	1.0945	3.4408	3.1348		1.7724	1.7724
H7	3.2013	2.1601	1.0969	4.2654	2.6291	1.7724		1.7783
H8	3.2013	2.1601	1.0969	4.2654	2.6291	1.7724	1.7783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.498	C1	C2	H5	116.973
C2	C1	O4	179.573	C2	C3	H6	111.083
C2	C3	H7	110.714	C2	C3	H8	110.714
C3	C2	H5	119.529	H6	C3	H7	107.957
H6	C3	H8	107.957	H7	C3	H8	108.302

All results from a given calculation for C₃H₄O (Methylketene)

using model chemistry: HSEh1PBE/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	0.432
2	C	-0.311
3	C	-0.641
4	O	-0.453
5	H	0.271
6	H	0.229
7	H	0.236
8	H	0.236

	x	y	z	Total
	1.134	1.517	0.000	1.894
CHELPG
AIM
ESP

	x	y	z
x	4.850	1.690	0.000
y	1.690	5.604	0.000
z	0.000	0.000	2.486

<r²>	87.521
(<r²>)^1/2	9.355

All results from a given calculation for C3H4O (Methylketene)

using model chemistry: HSEh1PBE/3-21G

States and conformations

All results from a given calculation for C₃H₄O (Methylketene)