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	hartrees
Energy at 0K	-252.738964
Energy at 298.15K	-252.742525
HF Energy	-251.899214
Nuclear repulsion energy	118.914253

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3195	3075	2.70
2	A'	3080	2964	0.44
3	A'	1923	1850	283.41
4	A'	1496	1440	12.35
5	A'	1432	1379	33.47
6	A'	1234	1188	206.62
7	A'	1030	992	34.78
8	A'	859	827	53.29
9	A'	609	586	20.54
10	A'	417	401	0.05
11	A"	3153	3034	1.69
12	A"	1504	1448	7.12
13	A"	1091	1050	7.39
14	A"	580	558	7.09
15	A"	135	130	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.185	0.000
C2	1.037	-0.891	0.000
O3	0.141	1.361	0.000
F4	-1.242	-0.352	0.000
H5	2.027	-0.446	0.000
H6	0.902	-1.519	0.880
H7	0.902	-1.519	-0.880

	C1	C2	O3	F4	H5	H6	H7
C1		1.4943	1.1838	1.3534	2.1233	2.1195	2.1195
C2	1.4943		2.4232	2.3415	1.0854	1.0896	1.0896
O3	1.1838	2.4232		2.2016	2.6122	3.1058	3.1058
F4	1.3534	2.3415	2.2016		3.2704	2.5944	2.5944
H5	2.1233	1.0854	2.6122	3.2704		1.7864	1.7864
H6	2.1195	1.0896	3.1058	2.5944	1.7864		1.7599
H7	2.1195	1.0896	3.1058	2.5944	1.7864	1.7599

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.772	C1	C2	H6	109.223
C1	C2	H7	109.223	C2	C1	O3	129.233
C2	C1	F4	110.522	O3	C1	F4	120.245
H5	C2	H6	110.429	H5	C2	H7	110.429
H6	C2	H7	107.723

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

using model chemistry: QCISD/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 CH3COF (Acetyl fluoride)

using model chemistry: QCISD/aug-cc-pVTZ

States and conformations

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