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	hartrees
Energy at 0K	-190.840309
Energy at 298.15K	-190.843976
HF Energy	-190.840309
Nuclear repulsion energy	103.436729

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3341	3028	6.37
2	A	3237	2934	27.40
3	A	3217	2916	29.42
4	A	3166	2870	43.46
5	A	2341	2122	1096.76
6	A	1632	1479	4.26
7	A	1599	1449	5.51
8	A	1547	1402	6.99
9	A	1534	1391	12.02
10	A	1236	1120	0.62
11	A	1180	1069	6.85
12	A	1153	1045	2.36
13	A	955	866	5.08
14	A	714	647	7.27
15	A	649	588	60.79
16	A	581	526	15.62
17	A	234	212	3.80
18	A	168	152	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.763	0.124	-0.000
C2	0.457	0.571	-0.000
C3	1.668	-0.329	0.000
O4	-1.833	-0.270	0.000
H5	0.558	1.639	0.001
H6	1.381	-1.372	-0.001
H7	2.279	-0.152	-0.876
H8	2.278	-0.152	0.877

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.2996	2.4729	1.1398	2.0102	2.6146	3.1780	3.1776
C2	1.2996		1.5089	2.4394	1.0720	2.1519	2.1472	2.1473
C3	2.4729	1.5089		3.5010	2.2588	1.0817	1.0830	1.0830
O4	1.1398	2.4394	3.5010		3.0595	3.3974	4.2059	4.2051
H5	2.0102	1.0720	2.2588	3.0595		3.1209	2.6335	2.6333
H6	2.6146	2.1519	1.0817	3.3974	3.1209		1.7499	1.7499
H7	3.1780	2.1472	1.0830	4.2059	2.6335	1.7499		1.7531
H8	3.1776	2.1473	1.0830	4.2051	2.6333	1.7499	1.7531

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.235	C1	C2	H5	115.562
C2	C1	O4	179.902	C2	C3	H6	111.259
C2	C3	H7	110.812	C2	C3	H8	110.817
C3	C2	H5	121.202	H6	C3	H7	107.871
H6	C3	H8	107.872	H7	C3	H8	108.075

All results from a given calculation for C₃H₄O (Methylketene)

using model chemistry: HF/Def2TZVPP

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	0.312
2	C	-0.178
3	C	-0.122
4	O	-0.290
5	H	0.082
6	H	0.062
7	H	0.066
8	H	0.066

	x	y	z	Total
	1.900	0.470	0.000	1.957
CHELPG
AIM
ESP

	x	y	z
x	7.553	0.646	0.000
y	0.646	4.486	0.000
z	0.000	0.000	4.028

<r²>	85.818
(<r²>)^1/2	9.264

All results from a given calculation for C3H4O (Methylketene)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for C₃H₄O (Methylketene)