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	hartrees
Energy at 0K	-253.132626
Energy at 298.15K	-253.136096
Nuclear repulsion energy	117.959139

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3174	3080	3.08
2	A'	3058	2967	0.16
3	A'	1897	1841	301.74
4	A'	1437	1394	14.15
5	A'	1378	1337	36.40
6	A'	1175	1140	193.26
7	A'	993	964	35.93
8	A'	812	788	81.58
9	A'	587	570	17.70
10	A'	408	396	0.20
11	A"	3127	3034	1.20
12	A"	1444	1402	7.63
13	A"	1052	1021	8.57
14	A"	563	546	5.58
15	A"	123	119	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.188	0.000
C2	1.086	-0.840	0.000
O3	0.076	1.373	0.000
F4	-1.239	-0.418	0.000
H5	2.061	-0.345	0.000
H6	0.983	-1.482	0.885
H7	0.983	-1.482	-0.885

	C1	C2	O3	F4	H5	H6	H7
C1		1.4957	1.1881	1.3792	2.1288	2.1298	2.1298
C2	1.4957		2.4335	2.3632	1.0937	1.0981	1.0981
O3	1.1881	2.4335		2.2224	2.6255	3.1237	3.1237
F4	1.3792	2.3632	2.2224		3.3008	2.6171	2.6171
H5	2.1288	1.0937	2.6255	3.3008		1.8000	1.8000
H6	2.1298	1.0981	3.1237	2.6171	1.8000		1.7709
H7	2.1298	1.0981	3.1237	2.6171	1.8000	1.7709

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.618	C1	C2	H6	109.438
C1	C2	H7	109.438	C2	C1	O3	129.768
C2	C1	F4	110.505	O3	C1	F4	119.726
H5	C2	H6	110.418	H5	C2	H7	110.418
H6	C2	H7	107.477

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

using model chemistry: B3LYP/aug-cc-pVDZ

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: B3LYP/aug-cc-pVDZ

States and conformations

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