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	hartrees
Energy at 0K	-250.830946
Energy at 298.15K	-250.834476
HF Energy	-250.402423
Nuclear repulsion energy	116.346035

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3226	3069	2.70
2	A'	3117	2965	0.14
3	A'	1803	1716	119.20
4	A'	1573	1496	18.55
5	A'	1487	1415	31.28
6	A'	1245	1185	161.65
7	A'	1042	991	55.13
8	A'	828	787	18.90
9	A'	588	560	18.19
10	A'	392	373	0.65
11	A"	3184	3029	1.30
12	A"	1581	1504	10.63
13	A"	1135	1079	10.05
14	A"	575	547	4.90
15	A"	148	141	0.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.192	0.000
C2	1.103	-0.839	0.000
O3	0.061	1.408	0.000
F4	-1.242	-0.454	0.000
H5	2.068	-0.335	0.000
H6	1.006	-1.474	0.885
H7	1.006	-1.474	-0.885

	C1	C2	O3	F4	H5	H6	H7
C1		1.5098	1.2174	1.4004	2.1337	2.1380	2.1380
C2	1.5098		2.4769	2.3766	1.0890	1.0935	1.0935
O3	1.2174	2.4769		2.2726	2.6579	3.1595	3.1595
F4	1.4004	2.3766	2.2726		3.3123	2.6226	2.6226
H5	2.1337	1.0890	2.6579	3.3123		1.7916	1.7916
H6	2.1380	1.0935	3.1595	2.6226	1.7916		1.7698
H7	2.1380	1.0935	3.1595	2.6226	1.7916	1.7698

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.312	C1	C2	H6	109.382
C1	C2	H7	109.382	C2	C1	O3	130.222
C2	C1	F4	109.447	O3	C1	F4	120.331
H5	C2	H6	110.347	H5	C2	H7	110.347
H6	C2	H7	108.046

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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