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	hartrees
Energy at 0K	-252.410659
Energy at 298.15K	-252.414229
HF Energy	-251.796212
Nuclear repulsion energy	118.420667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3224	3051	3.08
2	A'	3106	2939	0.55
3	A'	1987	1880	240.05
4	A'	1526	1444	11.93
5	A'	1464	1386	48.26
6	A'	1286	1217	205.38
7	A'	1054	997	26.17
8	A'	882	835	36.88
9	A'	612	579	23.17
10	A'	418	396	0.08
11	A"	3182	3011	2.09
12	A"	1526	1444	9.31
13	A"	1108	1049	9.27
14	A"	578	547	7.74
15	A"	145	137	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.186	0.000
C2	1.034	-0.898	0.000
O3	0.152	1.366	0.000
F4	-1.249	-0.350	0.000
H5	2.030	-0.453	0.000
H6	0.899	-1.529	0.884
H7	0.899	-1.529	-0.884

	C1	C2	O3	F4	H5	H6	H7
C1		1.4974	1.1900	1.3592	2.1280	2.1284	2.1284
C2	1.4974		2.4294	2.3479	1.0908	1.0950	1.0950
O3	1.1900	2.4294		2.2150	2.6147	3.1180	3.1180
F4	1.3592	2.3479	2.2150		3.2808	2.6052	2.6052
H5	2.1280	1.0908	2.6147	3.2808		1.7943	1.7943
H6	2.1284	1.0950	3.1180	2.6052	1.7943		1.7685
H7	2.1284	1.0950	3.1180	2.6052	1.7943	1.7685

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.612	C1	C2	H6	109.397
C1	C2	H7	109.397	C2	C1	O3	129.013
C2	C1	F4	110.466	O3	C1	F4	120.520
H5	C2	H6	110.346	H5	C2	H7	110.346
H6	C2	H7	107.711

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

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

States and conformations

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