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	hartrees
Energy at 0K	-252.413333
Energy at 298.15K	-252.416876
HF Energy	-251.795013
Nuclear repulsion energy	118.110690

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3261	3072	1.81
2	A'	3135	2954	0.14
3	A'	1922	1811	204.92
4	A'	1535	1446	13.75
5	A'	1463	1378	43.10
6	A'	1262	1189	195.55
7	A'	1047	986	33.64
8	A'	864	814	47.44
9	A'	600	565	20.02
10	A'	417	393	0.14
11	A"	3221	3035	0.73
12	A"	1537	1449	9.88
13	A"	1105	1041	9.08
14	A"	574	541	5.98
15	A"	140	132	0.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.187	0.000
C2	1.038	-0.887	0.000
O3	0.144	1.375	0.000
F4	-1.248	-0.369	0.000
H5	2.029	-0.438	0.000
H6	0.908	-1.519	0.881
H7	0.908	-1.519	-0.881

	C1	C2	O3	F4	H5	H6	H7
C1		1.4940	1.1971	1.3658	2.1227	2.1238	2.1238
C2	1.4940		2.4329	2.3439	1.0879	1.0920	1.0920
O3	1.1971	2.4329		2.2314	2.6150	3.1202	3.1202
F4	1.3658	2.3439	2.2314		3.2771	2.5973	2.5973
H5	2.1227	1.0879	2.6150	3.2771		1.7893	1.7893
H6	2.1238	1.0920	3.1202	2.5973	1.7893		1.7627
H7	2.1238	1.0920	3.1202	2.5973	1.7893	1.7627

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.599	C1	C2	H6	109.444
C1	C2	H7	109.444	C2	C1	O3	129.058
C2	C1	F4	110.010	O3	C1	F4	120.932
H5	C2	H6	110.343	H5	C2	H7	110.343
H6	C2	H7	107.637

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

using model chemistry: MP2=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: MP2=FULL/6-31G*

States and conformations

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