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	hartrees
Energy at 0K	-213.681575
Energy at 298.15K	-213.682904
HF Energy	-213.681575
Nuclear repulsion energy	67.524994

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3197	3028	38.39
2	A'	1973	1869	277.55
3	A'	1423	1348	4.87
4	A'	1172	1110	236.96
5	A'	685	648	23.00
6	A"	1057	1001	0.71

Atom	x (Å)	y (Å)
C1	0.000	0.395
O2	1.147	0.115
F3	-0.971	-0.520
H4	-0.439	1.399

	C1	O2	F3	H4
C1		1.1807	1.3341	1.0964
O2	1.1807		2.2111	2.0409
F3	1.3341	2.2111		1.9922
H4	1.0964	2.0409	1.9922

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	F3	122.984		O2	C1	H4	127.301
F3	C1	H4	109.715

All results from a given calculation for HFCO (formyl fluoride)

using model chemistry: M06-2X/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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Number	Element	Mulliken
1	C	0.433
2	O	-0.350
3	F	-0.248
4	H	0.164

	x	y	z	Total
	-1.372	1.554	0.000	2.073
CHELPG
AIM
ESP

	x	y	z
x	2.642	-0.095	0.000
y	-0.095	1.902	0.000
z	0.000	0.000	1.189

<r²>	0.000
(<r²>)^1/2	0.000