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	hartrees
Energy at 0K	-252.575964
Energy at 298.15K	-252.579498
HF Energy	-251.890592
Nuclear repulsion energy	118.460061

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3242	3073	2.12
2	A'	3117	2954	0.41
3	A'	1897	1798	240.79
4	A'	1498	1420	12.94
5	A'	1433	1358	33.14
6	A'	1212	1149	202.21
7	A'	1024	970	47.33
8	A'	839	795	77.04
9	A'	605	574	18.15
10	A'	423	401	0.29
11	A"	3204	3037	1.12
12	A"	1498	1420	9.16
13	A"	1084	1028	6.57
14	A"	567	538	7.16
15	A"	130	124	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.187	0.000
C2	1.060	-0.864	0.000
O3	0.108	1.371	0.000
F4	-1.238	-0.391	0.000
H5	2.038	-0.394	0.000
H6	0.942	-1.494	0.880
H7	0.942	-1.494	-0.880

	C1	C2	O3	F4	H5	H6	H7
C1		1.4932	1.1886	1.3668	2.1194	2.1185	2.1185
C2	1.4932		2.4297	2.3470	1.0847	1.0885	1.0885
O3	1.1886	2.4297		2.2173	2.6158	3.1110	3.1110
F4	1.3668	2.3470	2.2173		3.2765	2.5972	2.5972
H5	2.1194	1.0847	2.6158	3.2765		1.7845	1.7845
H6	2.1185	1.0885	3.1110	2.5972	1.7845		1.7597
H7	2.1185	1.0885	3.1110	2.5972	1.7845	1.7597

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.576	C1	C2	H6	109.284
C1	C2	H7	109.284	C2	C1	O3	129.559
C2	C1	F4	110.218	O3	C1	F4	120.224
H5	C2	H6	110.401	H5	C2	H7	110.401
H6	C2	H7	107.863

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

using model chemistry: MP2/TZVP

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: MP2/TZVP

States and conformations

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