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	hartrees
Energy at 0K	-252.420363
Energy at 298.15K	-252.423908
HF Energy	-251.795399
Nuclear repulsion energy	118.108533

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3211	3058	3.90
2	A'	3096	2948	0.83
3	A'	1945	1852	235.19
4	A'	1523	1450	12.07
5	A'	1459	1389	41.60
6	A'	1271	1210	198.40
7	A'	1047	997	29.63
8	A'	868	827	38.59
9	A'	603	574	22.10
10	A'	415	395	0.09
11	A"	3170	3019	2.73
12	A"	1523	1451	8.99
13	A"	1102	1050	8.76
14	A"	572	545	7.77
15	A"	142	135	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.186	0.000
C2	1.037	-0.897	0.000
O3	0.151	1.371	0.000
F4	-1.252	-0.355	0.000
H5	2.033	-0.452	0.000
H6	0.903	-1.529	0.885
H7	0.903	-1.529	-0.885

	C1	C2	O3	F4	H5	H6	H7
C1		1.4995	1.1944	1.3636	2.1306	2.1311	2.1311
C2	1.4995		2.4353	2.3514	1.0914	1.0956	1.0956
O3	1.1944	2.4353		2.2241	2.6201	3.1245	3.1245
F4	1.3636	2.3514	2.2241		3.2858	2.6081	2.6081
H5	2.1306	1.0914	2.6201	3.2858		1.7949	1.7949
H6	2.1311	1.0956	3.1245	2.6081	1.7949		1.7692
H7	2.1311	1.0956	3.1245	2.6081	1.7949	1.7692

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.634	C1	C2	H6	109.427
C1	C2	H7	109.427	C2	C1	O3	129.020
C2	C1	F4	110.331	O3	C1	F4	120.650
H5	C2	H6	110.313	H5	C2	H7	110.313
H6	C2	H7	107.695

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

using model chemistry: QCISD/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: QCISD/6-31G*

States and conformations

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