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	hartrees
Energy at 0K	-252.398655
Energy at 298.15K	-252.402200
HF Energy	-251.794741
Nuclear repulsion energy	117.994836

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3259	3073	1.88
2	A'	3133	2955	0.15
3	A'	1918	1808	203.99
4	A'	1535	1447	13.73
5	A'	1462	1378	42.12
6	A'	1260	1189	194.65
7	A'	1045	986	34.28
8	A'	862	813	48.22
9	A'	598	564	20.00
10	A'	416	392	0.15
11	A"	3219	3036	0.76
12	A"	1537	1449	9.78
13	A"	1104	1041	8.87
14	A"	571	539	6.06
15	A"	144	135	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.187	0.000
C2	1.040	-0.889	0.000
O3	0.144	1.376	0.000
F4	-1.249	-0.369	0.000
H5	2.030	-0.438	0.000
H6	0.909	-1.520	0.882
H7	0.909	-1.520	-0.882

	C1	C2	O3	F4	H5	H6	H7
C1		1.4959	1.1981	1.3672	2.1244	2.1258	2.1258
C2	1.4959		2.4355	2.3469	1.0882	1.0923	1.0923
O3	1.1981	2.4355		2.2334	2.6172	3.1229	3.1229
F4	1.3672	2.3469	2.2334		3.2801	2.6003	2.6003
H5	2.1244	1.0882	2.6172	3.2801		1.7900	1.7900
H6	2.1258	1.0923	3.1229	2.6003	1.7900		1.7634
H7	2.1258	1.0923	3.1229	2.6003	1.7900	1.7634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.581	C1	C2	H6	109.448
C1	C2	H7	109.448	C2	C1	O3	129.056
C2	C1	F4	110.025	O3	C1	F4	120.919
H5	C2	H6	110.345	H5	C2	H7	110.345
H6	C2	H7	107.643

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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