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	hartrees
Energy at 0K	-252.431310
Energy at 298.15K	-252.434873
HF Energy	-251.796005
Nuclear repulsion energy	118.367877

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3217	3055	3.47
2	A'	3100	2945	0.66
3	A'	1967	1868	238.64
4	A'	1524	1447	11.95
5	A'	1462	1389	45.23
6	A'	1280	1216	202.15
7	A'	1051	998	27.40
8	A'	877	833	37.45
9	A'	608	578	22.70
10	A'	417	397	0.07
11	A"	3175	3015	2.42
12	A"	1525	1448	9.19
13	A"	1106	1051	9.04
14	A"	578	549	7.66
15	A"	144	137	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.186	0.000
C2	1.033	-0.897	0.000
O3	0.152	1.368	0.000
F4	-1.249	-0.352	0.000
H5	2.030	-0.453	0.000
H6	0.898	-1.528	0.884
H7	0.898	-1.528	-0.884

	C1	C2	O3	F4	H5	H6	H7
C1		1.4967	1.1916	1.3600	2.1277	2.1277	2.1277
C2	1.4967		2.4300	2.3468	1.0907	1.0949	1.0949
O3	1.1916	2.4300		2.2183	2.6152	3.1187	3.1187
F4	1.3600	2.3468	2.2183		3.2804	2.6034	2.6034
H5	2.1277	1.0907	2.6152	3.2804		1.7940	1.7940
H6	2.1277	1.0949	3.1187	2.6034	1.7940		1.7683
H7	2.1277	1.0949	3.1187	2.6034	1.7940	1.7683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.639	C1	C2	H6	109.395
C1	C2	H7	109.395	C2	C1	O3	129.003
C2	C1	F4	110.376	O3	C1	F4	120.621
H5	C2	H6	110.336	H5	C2	H7	110.336
H6	C2	H7	107.708

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

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

States and conformations

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