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	hartrees
Energy at 0K	-213.564469
Energy at 298.15K	-213.565745
Nuclear repulsion energy	66.445328

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2990	2972	41.91
2	A'	1850	1839	234.17
3	A'	1304	1296	1.88
4	A'	1043	1037	217.43
5	A'	637	633	16.82
6	A"	983	977	0.01

Atom	x (Å)	y (Å)
C1	0.000	0.403
O2	1.162	0.134
F3	-0.980	-0.544
H4	-0.477	1.411

	C1	O2	F3	H4
C1		1.1931	1.3631	1.1157
O2	1.1931		2.2476	2.0783
F3	1.3631	2.2476		2.0195
H4	1.1157	2.0783	2.0195

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	F3	122.972		O2	C1	H4	128.320
F3	C1	H4	108.708

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

using model chemistry: PBEPBE/cc-pVDZ

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	0.236
2	O	-0.138
3	F	-0.134
4	H	0.036

	x	y	z	Total
	-1.153	1.382	0.000	1.800
CHELPG
AIM
ESP

	x	y	z
x	2.763	-0.039	0.000
y	-0.039	2.044	0.000
z	0.000	0.000	1.202

<r²>	0.000
(<r²>)^1/2	0.000