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	hartrees
Energy at 0K	-212.585860
Energy at 298.15K	-212.587172
Nuclear repulsion energy	66.082623

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3109	2991	45.05
2	A'	1836	1766	174.49
3	A'	1435	1380	2.44
4	A'	1103	1061	162.18
5	A'	657	632	18.11
6	A"	1068	1027	0.12

Atom	x (Å)	y (Å)
C1	0.000	0.409
O2	1.170	0.134
F3	-0.989	-0.547
H4	-0.458	1.399

	C1	O2	F3	H4
C1		1.2016	1.3749	1.0911
O2	1.2016		2.2632	2.0615
F3	1.3749	2.2632		2.0169
H4	1.0911	2.0615	2.0169

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	F3	122.760		O2	C1	H4	128.034
F3	C1	H4	109.206

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

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	C	0.456
2	O	-0.398
3	F	-0.258
4	H	0.201

	x	y	z	Total
	-1.199	1.592	0.000	1.993
CHELPG
AIM
ESP

	x	y	z
x	2.420	-0.025	0.000
y	-0.025	1.615	0.000
z	0.000	0.000	0.807

<r²>	0.000
(<r²>)^1/2	0.000