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	hartrees
Energy at 0K	-252.405188
Energy at 298.15K	-252.408766
HF Energy	-251.796605
Nuclear repulsion energy	118.596444

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3249	3049	2.43
2	A'	3129	2937	0.27
3	A'	2002	1879	251.96
4	A'	1532	1438	12.64
5	A'	1469	1378	51.27
6	A'	1292	1213	207.21
7	A'	1057	992	25.52
8	A'	888	834	35.97
9	A'	615	577	23.72
10	A'	420	394	0.07
11	A"	3205	3008	1.50
12	A"	1532	1438	9.76
13	A"	1111	1043	9.65
14	A"	580	545	7.67
15	A"	145	136	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.185	0.000
C2	1.031	-0.900	0.000
O3	0.155	1.363	0.000
F4	-1.249	-0.344	0.000
H5	2.026	-0.458	0.000
H6	0.894	-1.530	0.883
H7	0.894	-1.530	-0.883

	C1	C2	O3	F4	H5	H6	H7
C1		1.4967	1.1883	1.3565	2.1256	2.1258	2.1258
C2	1.4967		2.4266	2.3471	1.0888	1.0931	1.0931
O3	1.1883	2.4266		2.2105	2.6107	3.1136	3.1136
F4	1.3565	2.3471	2.2105		3.2773	2.6037	2.6037
H5	2.1256	1.0888	2.6107	3.2773		1.7916	1.7916
H6	2.1258	1.0931	3.1136	2.6037	1.7916		1.7655
H7	2.1258	1.0931	3.1136	2.6037	1.7916	1.7655

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.584	C1	C2	H6	109.352
C1	C2	H7	109.352	C2	C1	O3	128.954
C2	C1	F4	110.597	O3	C1	F4	120.449
H5	C2	H6	110.399	H5	C2	H7	110.399
H6	C2	H7	107.723

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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