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	hartrees
Energy at 0K	-252.589663
Energy at 298.15K	-252.593242
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3231	3055	2.28
2	A'	3112	2942	0.35
3	A'	1963	1856	244.72
4	A'	1499	1418	10.49
5	A'	1437	1358	44.15
6	A'	1274	1204	195.11
7	A'	1037	980	23.48
8	A'	886	837	26.79
9	A'	616	583	21.67
10	A'	414	391	0.01
11	A"	3189	3015	1.33
12	A"	1505	1423	6.86
13	A"	1093	1033	8.75
14	A"	587	555	6.27
15	A"	142	135	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.187	0.000
C2	1.016	-0.912	0.000
O3	0.167	1.358	0.000
F4	-1.242	-0.327	0.000
H5	2.016	-0.487	0.000
H6	0.869	-1.539	0.881
H7	0.869	-1.539	-0.881

	C1	C2	O3	F4	H5	H6	H7
C1		1.4965	1.1825	1.3447	2.1260	2.1238	2.1238
C2	1.4965		2.4232	2.3327	1.0872	1.0912	1.0912
O3	1.1825	2.4232		2.1966	2.6122	3.1082	3.1082
F4	1.3447	2.3327	2.1966		3.2628	2.5888	2.5888
H5	2.1260	1.0872	2.6122	3.2628		1.7889	1.7889
H6	2.1238	1.0912	3.1082	2.5888	1.7889		1.7615
H7	2.1238	1.0912	3.1082	2.5888	1.7889	1.7615

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.731	C1	C2	H6	109.314
C1	C2	H7	109.314	C2	C1	O3	129.149
C2	C1	F4	110.259	O3	C1	F4	120.592
H5	C2	H6	110.409	H5	C2	H7	110.409
H6	C2	H7	107.624

All results from a given calculation for CH₃COF (Acetyl fluoride)

using model chemistry: CCSD/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 CH3COF (Acetyl fluoride)

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

States and conformations

All results from a given calculation for CH₃COF (Acetyl fluoride)