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	hartrees
Energy at 0K	-191.931563
Energy at 298.15K	-191.935002
HF Energy	-191.931563
Nuclear repulsion energy	102.208272

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3190	3078	6.29
2	A	3118	3009	15.95
3	A	3078	2971	23.03
4	A	3027	2921	37.90
5	A	2234	2156	590.45
6	A	1512	1459	3.80
7	A	1483	1431	4.30
8	A	1420	1370	13.41
9	A	1415	1365	3.10
10	A	1158	1117	0.43
11	A	1082	1044	9.82
12	A	1057	1020	0.18
13	A	903	872	2.92
14	A	656	633	5.55
15	A	559	540	34.47
16	A	525	507	20.19
17	A	212	204	1.97
18	A	156	151	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.765	0.126	-0.000
C2	0.467	0.570	0.000
C3	1.683	-0.330	-0.000
O4	-1.863	-0.268	-0.000
H5	0.584	1.648	0.000
H6	1.417	-1.357	-0.264
H7	2.431	0.016	-0.722
H8	2.158	-0.353	0.987

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3094	2.4894	1.1669	2.0331	2.6511	3.2777	3.1217
C2	1.3094		1.5121	2.4763	1.0846	2.1639	2.1639	2.1639
C3	2.4894	1.5121		3.5457	2.2631	1.0926	1.0958	1.0958
O4	1.1669	2.4763	3.5457		3.1076	3.4655	4.3628	4.1409
H5	2.0331	1.0846	2.2631	3.1076		3.1295	2.5686	2.7303
H6	2.6511	2.1639	1.0926	3.4655	3.1295		1.7669	1.7669
H7	3.2777	2.1639	1.0958	4.3628	2.5686	1.7669		1.7694
H8	3.1217	2.1639	1.0958	4.1409	2.7303	1.7669	1.7694

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.680	C1	C2	H5	115.938
C2	C1	O4	179.985	C2	C3	H6	111.338
C2	C3	H7	111.140	C2	C3	H8	111.139
C3	C2	H5	120.382	H6	C3	H7	107.685
H6	C3	H8	107.684	H7	C3	H8	107.679

All results from a given calculation for C₃H₄O (Methylketene)

using model chemistry: B3LYP/6-31G(2df,p)

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: B3LYP/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₄O (Methylketene)