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	hartrees
Energy at 0K	-191.557770
Energy at 298.15K	-191.561157
HF Energy	-190.832306
Nuclear repulsion energy	102.204015

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3237	3085	10.06
2	A	3167	3018	12.29
3	A	3147	2999	11.73
4	A	3072	2927	32.51
5	A	2190	2087	570.03
6	A	1534	1461	5.74
7	A	1505	1434	5.42
8	A	1427	1360	11.70
9	A	1407	1341	1.94
10	A	1151	1097	0.56
11	A	1089	1038	7.24
12	A	1066	1016	0.33
13	A	912	869	3.74
14	A	644	613	3.51
15	A	534	508	4.37
16	A	502	478	54.78
17	A	204	195	1.50
18	A	144	138	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	-0.764	0.135	-0.000
C2	0.477	0.578	-0.000
C3	1.674	-0.338	0.000
O4	-1.858	-0.272	0.000
H5	0.595	1.652	0.000
H6	1.366	-1.382	-0.000
H7	2.291	-0.171	-0.882
H8	2.290	-0.171	0.883

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3175	2.4838	1.1675	2.0360	2.6152	3.1945	3.1943
C2	1.3175		1.5073	2.4849	1.0802	2.1518	2.1517	2.1517
C3	2.4838	1.5073		3.5329	2.2634	1.0882	1.0894	1.0894
O4	1.1675	2.4849	3.5329		3.1173	3.4098	4.2430	4.2426
H5	2.0360	1.0802	2.2634	3.1173		3.1297	2.6414	2.6415
H6	2.6152	2.1518	1.0882	3.4098	3.1297		1.7603	1.7603
H7	3.1945	2.1517	1.0894	4.2430	2.6414	1.7603		1.7652
H8	3.1943	2.1517	1.0894	4.2426	2.6415	1.7603	1.7652

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	122.968	C1	C2	H5	115.892
C2	C1	O4	179.195	C2	C3	H6	110.965
C2	C3	H7	110.889	C2	C3	H8	110.892
C3	C2	H5	121.140	H6	C3	H7	107.869
H6	C3	H8	107.870	H7	C3	H8	108.229

All results from a given calculation for C₃H₄O (Methylketene)

using model chemistry: MP2/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₄O (Methylketene)