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	hartrees
Energy at 0K	-252.774856
Energy at 298.15K	-252.778470
HF Energy	-251.896609
Nuclear repulsion energy	119.549875

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3206	3040	2.73
2	A'	3107	2945	0.47
3	A'	1965	1863	272.32
4	A'	1503	1425	11.75
5	A'	1439	1365	45.23
6	A'	1262	1196	209.05
7	A'	1038	984	27.09
8	A'	882	836	42.23
9	A'	623	591	21.10
10	A'	424	402	0.02
11	A"	3163	2999	1.97
12	A"	1513	1434	7.21
13	A"	1094	1037	8.39
14	A"	594	563	6.55
15	A"	146	139	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.184	0.000
C2	1.032	-0.884	0.000
O3	0.139	1.355	0.000
F4	-1.235	-0.353	0.000
H5	2.016	-0.440	0.000
H6	0.897	-1.509	0.876
H7	0.897	-1.509	-0.876

	C1	C2	O3	F4	H5	H6	H7
C1		1.4852	1.1784	1.3465	2.1108	2.1074	2.1074
C2	1.4852		2.4102	2.3276	1.0806	1.0849	1.0849
O3	1.1784	2.4102		2.1915	2.5970	3.0895	3.0895
F4	1.3465	2.3276	2.1915		3.2522	2.5786	2.5786
H5	2.1108	1.0806	2.5970	3.2522		1.7792	1.7792
H6	2.1074	1.0849	3.0895	2.5786	1.7792		1.7529
H7	2.1074	1.0849	3.0895	2.5786	1.7792	1.7529

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.698	C1	C2	H6	109.173
C1	C2	H7	109.173	C2	C1	O3	129.238
C2	C1	F4	110.467	O3	C1	F4	120.294
H5	C2	H6	110.490	H5	C2	H7	110.490
H6	C2	H7	107.776

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

using model chemistry: CCSD=FULL/cc-pVTZ

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=FULL/cc-pVTZ

States and conformations

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