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	hartrees
Energy at 0K	-213.794885
Energy at 298.15K	-213.796204
Nuclear repulsion energy	67.651144

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3095	2962	32.27
2	A'	1918	1836	275.73
3	A'	1370	1311	1.34
4	A'	1106	1058	250.90
5	A'	674	645	19.90
6	A"	1039	995	0.02

Atom	x (Å)	y (Å)
C1	0.000	0.396
O2	1.142	0.125
F3	-0.965	-0.529
H4	-0.453	1.391

	C1	O2	F3	H4
C1		1.1741	1.3370	1.0931
O2	1.1741		2.2069	2.0365
F3	1.3370	2.2069		1.9871
H4	1.0931	2.0365	1.9871

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	F3	122.878		O2	C1	H4	127.814
F3	C1	H4	109.307

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

using model chemistry: B1B95/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	0.300
2	O	-0.217
3	F	-0.147
4	H	0.064

	x	y	z	Total
	-1.300	1.580	0.000	2.046
CHELPG
AIM
ESP

	x	y	z
x	2.964	-0.034	0.000
y	-0.034	2.240	0.000
z	0.000	0.000	1.528

<r²>	0.000
(<r²>)^1/2	0.000