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	hartrees
Energy at 0K	-250.846973
Energy at 298.15K	-250.850489
HF Energy	-250.402875
Nuclear repulsion energy	116.419768

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3164	3067	3.70
2	A'	3059	2965	0.62
3	A'	1831	1775	140.79
4	A'	1550	1503	16.54
5	A'	1470	1425	28.02
6	A'	1247	1209	166.83
7	A'	1040	1008	41.86
8	A'	826	801	12.93
9	A'	587	569	20.33
10	A'	387	376	0.41
11	A"	3119	3023	2.61
12	A"	1557	1509	9.97
13	A"	1121	1087	10.02
14	A"	568	550	6.33
15	A"	144	140	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.190	0.000
C2	1.089	-0.863	0.000
O3	0.090	1.400	0.000
F4	-1.254	-0.422	0.000
H5	2.065	-0.372	0.000
H6	0.981	-1.499	0.889
H7	0.981	-1.499	-0.889

	C1	C2	O3	F4	H5	H6	H7
C1		1.5149	1.2135	1.3950	2.1404	2.1456	2.1456
C2	1.5149		2.4740	2.3834	1.0929	1.0976	1.0976
O3	1.2135	2.4740		2.2641	2.6538	3.1602	3.1602
F4	1.3950	2.3834	2.2641		3.3190	2.6347	2.6347
H5	2.1404	1.0929	2.6538	3.3190		1.7982	1.7982
H6	2.1456	1.0976	3.1602	2.6347	1.7982		1.7771
H7	2.1456	1.0976	3.1602	2.6347	1.7982	1.7771

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.255	C1	C2	H6	109.390
C1	C2	H7	109.390	C2	C1	O3	129.789
C2	C1	F4	109.919	O3	C1	F4	120.291
H5	C2	H6	110.344	H5	C2	H7	110.344
H6	C2	H7	108.095

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

using model chemistry: QCISD/3-21G

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/3-21G

States and conformations

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