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	hartrees
Energy at 0K	-191.438090
Energy at 298.15K	-191.441410
HF Energy	-190.823143
Nuclear repulsion energy	102.219572

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3256	3087	8.57
2	A'	3181	3015	17.69
3	A'	3086	2925	37.01
4	A'	2215	2099	542.70
5	A'	1540	1460	5.55
6	A'	1445	1370	13.32
7	A'	1418	1344	1.91
8	A'	1164	1104	0.25
9	A'	1097	1040	7.99
10	A'	916	868	3.38
11	A'	648	614	4.06
12	A'	209	198	1.58
13	A"	3163	2999	17.26
14	A"	1493	1415	5.51
15	A"	1072	1016	0.90
16	A"	510	484	1.17
17	A"	479	454	70.10
18	A"	120	114	0.26

Atom	x (Å)	y (Å)	z (Å)
C1	-0.675	-0.382	0.000
C2	0.000	0.748	0.000
C3	1.507	0.805	0.000
O4	-1.261	-1.392	0.000
H5	-0.589	1.654	0.000
H6	1.935	-0.196	0.000
H7	1.877	1.325	0.884
H8	1.877	1.325	-0.884

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3163	2.4840	1.1672	2.0382	2.6167	3.1953	3.1953
C2	1.3163		1.5077	2.4834	1.0809	2.1529	2.1536	2.1536
C3	2.4840	1.5077		3.5337	2.2608	1.0893	1.0904	1.0904
O4	1.1672	2.4834	3.5337		3.1191	3.4123	4.2439	4.2439
H5	2.0382	1.0809	2.2608	3.1191		3.1294	2.6401	2.6401
H6	2.6167	2.1529	1.0893	3.4123	3.1294		1.7605	1.7605
H7	3.1953	2.1536	1.0904	4.2439	2.6401	1.7605		1.7680
H8	3.1953	2.1536	1.0904	4.2439	2.6401	1.7605	1.7680

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.048	C1	C2	H5	116.132
C2	C1	O4	179.275	C2	C3	H6	110.965
C2	C3	H7	110.956	C2	C3	H8	110.956
C3	C2	H5	120.820	H6	C3	H7	107.745
H6	C3	H8	107.745	H7	C3	H8	108.340

All results from a given calculation for C₃H₄O (Methylketene)

using model chemistry: MP2/TZVP

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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All results from a given calculation for C3H4O (Methylketene)

using model chemistry: MP2/TZVP

States and conformations

All results from a given calculation for C₃H₄O (Methylketene)