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	hartrees
Energy at 0K	-252.736052
Energy at 298.15K	-252.739620
HF Energy	-251.899485
Nuclear repulsion energy	119.040432

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3199	3057	2.56
2	A'	3084	2948	0.38
3	A'	1938	1853	287.01
4	A'	1496	1430	12.22
5	A'	1434	1371	35.55
6	A'	1241	1186	210.47
7	A'	1033	987	32.86
8	A'	866	828	51.40
9	A'	612	585	21.06
10	A'	418	400	0.04
11	A"	3156	3017	1.59
12	A"	1505	1438	7.15
13	A"	1093	1045	7.54
14	A"	583	557	7.09
15	A"	134	128	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.185	0.000
C2	1.040	-0.887	0.000
O3	0.135	1.359	0.000
F4	-1.239	-0.355	0.000
H5	2.027	-0.437	0.000
H6	0.907	-1.515	0.880
H7	0.907	-1.515	-0.880

	C1	C2	O3	F4	H5	H6	H7
C1		1.4929	1.1824	1.3521	2.1204	2.1177	2.1177
C2	1.4929		2.4216	2.3403	1.0849	1.0894	1.0894
O3	1.1824	2.4216		2.1975	2.6094	3.1034	3.1034
F4	1.3521	2.3403	2.1975		3.2676	2.5931	2.5931
H5	2.1204	1.0849	2.6094	3.2676		1.7864	1.7864
H6	2.1177	1.0894	3.1034	2.5931	1.7864		1.7601
H7	2.1177	1.0894	3.1034	2.5931	1.7864	1.7601

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.663	C1	C2	H6	109.188
C1	C2	H7	109.188	C2	C1	O3	129.322
C2	C1	F4	110.590	O3	C1	F4	120.088
H5	C2	H6	110.493	H5	C2	H7	110.493
H6	C2	H7	107.775

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

using model chemistry: CCSD/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: CCSD/aug-cc-pVTZ

States and conformations

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