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	hartrees
Energy at 0K	-213.637921
Energy at 298.15K	-213.639199
Nuclear repulsion energy	66.717372

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2995	2974	34.84
2	A'	1837	1824	240.10
3	A'	1312	1303	0.57
4	A'	1030	1023	231.06
5	A'	640	636	16.92
6	A"	986	979	0.13

Atom	x (Å)	y (Å)
C1	0.000	0.402
O2	1.157	0.138
F3	-0.976	-0.546
H4	-0.473	1.399

	C1	O2	F3	H4
C1		1.1868	1.3604	1.1040
O2	1.1868		2.2402	2.0612
F3	1.3604	2.2402		2.0089
H4	1.1040	2.0612	2.0089

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	F3	123.014		O2	C1	H4	128.223
F3	C1	H4	108.763

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

using model chemistry: PBEPBE/cc-pVTZ

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	0.275
2	O	-0.183
3	F	-0.131
4	H	0.039

	x	y	z	Total
	-1.229	1.489	0.000	1.931
CHELPG
AIM
ESP

	x	y	z
x	3.129	-0.003	0.000
y	-0.003	2.383	0.000
z	0.000	0.000	1.585

<r²>	0.000
(<r²>)^1/2	0.000