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	hartrees
Energy at 0K	-253.112343
Energy at 298.15K	-253.115817
HF Energy	-253.112343
Nuclear repulsion energy	118.523747

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3174	3063	5.56
2	A'	3056	2949	1.00
3	A'	1907	1840	246.87
4	A'	1479	1427	12.12
5	A'	1400	1351	30.09
6	A'	1215	1172	186.33
7	A'	1006	970	36.23
8	A'	848	818	33.97
9	A'	592	572	17.40
10	A'	395	381	0.03
11	A"	3125	3016	3.00
12	A"	1486	1434	6.46
13	A"	1067	1029	7.24
14	A"	563	544	4.23
15	A"	124	120	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.188	0.000
C2	1.032	-0.900	0.000
O3	0.151	1.367	0.000
F4	-1.247	-0.348	0.000
H5	2.029	-0.462	0.000
H6	0.897	-1.534	0.881
H7	0.897	-1.534	-0.881

	C1	C2	O3	F4	H5	H6	H7
C1		1.4998	1.1885	1.3570	2.1309	2.1318	2.1318
C2	1.4998		2.4323	2.3454	1.0891	1.0939	1.0939
O3	1.1885	2.4323		2.2117	2.6217	3.1219	3.1219
F4	1.3570	2.3454	2.2117		3.2783	2.6036	2.6036
H5	2.1309	1.0891	2.6217	3.2783		1.7914	1.7914
H6	2.1318	1.0939	3.1219	2.6036	1.7914		1.7625
H7	2.1318	1.0939	3.1219	2.6036	1.7914	1.7625

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.768	C1	C2	H6	109.559
C1	C2	H7	109.559	C2	C1	O3	129.218
C2	C1	F4	110.264	O3	C1	F4	120.517
H5	C2	H6	110.292	H5	C2	H7	110.292
H6	C2	H7	107.332

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

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

States and conformations

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