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	hartrees
Energy at 0K	-210.745312
Energy at 298.15K	-210.746518
Nuclear repulsion energy	65.043340

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3208	2833	15.34
2	A'	1905	1682	70.91
3	A'	1441	1272	4.49
4	A'	1213	1071	60.37
5	A'	626	553	15.87
6	A"	946	835	0.54

Atom	x (Å)	y (Å)
C1	0.000	0.409
O2	1.197	0.086
F3	-1.019	-0.511
H4	-0.411	1.458

	C1	O2	F3	H4
C1		1.2401	1.3720	1.1274
O2	1.2401		2.2948	2.1147
F3	1.3720	2.2948		2.0602
H4	1.1274	2.1147	2.0602

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	F3	122.855		O2	C1	H4	126.491
F3	C1	H4	110.654

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

using model chemistry: B1B95/STO-3G

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	0.168
2	O	-0.182
3	F	-0.063
4	H	0.078

	x	y	z	Total
	-1.123	0.816	0.000	1.388
CHELPG
AIM
ESP

	x	y	z
x	1.760	0.021	0.000
y	0.021	1.044	0.000
z	0.000	0.000	0.390

<r²>	0.000
(<r²>)^1/2	0.000