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	hartrees
Energy at 0K	-252.417222
Energy at 298.15K	-252.420779
HF Energy	-251.795782
Nuclear repulsion energy	118.253492

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3215	3036	3.53
2	A'	3099	2927	0.69
3	A'	1962	1853	237.52
4	A'	1524	1439	11.96
5	A'	1461	1379	44.26
6	A'	1278	1207	201.95
7	A'	1050	991	27.81
8	A'	875	827	37.52
9	A'	607	573	22.69
10	A'	416	393	0.08
11	A"	3174	2997	2.48
12	A"	1524	1439	9.12
13	A"	1105	1043	8.84
14	A"	575	543	7.72
15	A"	144	136	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.186	0.000
C2	1.035	-0.898	0.000
O3	0.152	1.369	0.000
F4	-1.251	-0.352	0.000
H5	2.031	-0.453	0.000
H6	0.900	-1.530	0.884
H7	0.900	-1.530	-0.884

	C1	C2	O3	F4	H5	H6	H7
C1		1.4985	1.1926	1.3615	2.1293	2.1296	2.1296
C2	1.4985		2.4325	2.3497	1.0911	1.0952	1.0952
O3	1.1926	2.4325		2.2202	2.6173	3.1213	3.1213
F4	1.3615	2.3497	2.2202		3.2833	2.6064	2.6064
H5	2.1293	1.0911	2.6173	3.2833		1.7946	1.7946
H6	2.1296	1.0952	3.1213	2.6064	1.7946		1.7689
H7	2.1296	1.0952	3.1213	2.6064	1.7946	1.7689

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.620	C1	C2	H6	109.398
C1	C2	H7	109.398	C2	C1	O3	128.999
C2	C1	F4	110.393	O3	C1	F4	120.608
H5	C2	H6	110.339	H5	C2	H7	110.339
H6	C2	H7	107.715

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

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

States and conformations

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