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	hartrees
Energy at 0K	-250.837879
Energy at 298.15K	-250.841416
HF Energy	-250.402458
Nuclear repulsion energy	116.360105

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3227	3081	2.67
2	A'	3117	2976	0.14
3	A'	1804	1722	119.19
4	A'	1573	1502	18.56
5	A'	1488	1420	31.36
6	A'	1246	1189	161.88
7	A'	1042	995	54.93
8	A'	828	791	18.87
9	A'	589	562	18.19
10	A'	392	375	0.65
11	A"	3185	3041	1.27
12	A"	1581	1510	10.67
13	A"	1135	1083	10.07
14	A"	575	549	4.88
15	A"	148	142	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	1.407	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		1.5095	1.2173	1.4002	2.1334	2.1377	2.1377
C2	1.5095		2.4765	2.3764	1.0889	1.0933	1.0933
O3	1.2173	2.4765		2.2723	2.6574	3.1591	3.1591
F4	1.4002	2.3764	2.2723		3.3120	2.6225	2.6225
H5	2.1334	1.0889	2.6574	3.3120		1.7913	1.7913
H6	2.1377	1.0933	3.1591	2.6225	1.7913		1.7695
H7	2.1377	1.0933	3.1591	2.6225	1.7913	1.7695

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.314	C1	C2	H6	109.388
C1	C2	H7	109.388	C2	C1	O3	130.216
C2	C1	F4	109.456	O3	C1	F4	120.328
H5	C2	H6	110.342	H5	C2	H7	110.342
H6	C2	H7	108.043

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

using model chemistry: MP2=FULL/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=FULL/3-21G

States and conformations

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