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	hartrees
Energy at 0K	-633.673346
Energy at 298.15K	-633.674252
HF Energy	-633.673346
Nuclear repulsion energy	116.106195

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1124	1124	112.27
2	A'	821	821	170.25
3	A'	405	405	12.84

Atom	x (Å)	y (Å)
F1	-1.142	-0.653
Cl2	0.000	0.449
O3	1.285	-0.221

	F1	Cl2	O3
F1		1.5874	2.4658
Cl2	1.5874		1.4495
O3	2.4658	1.4495

Number	Element	Mulliken
1	F	-0.383
2	Cl	1.059
3	O	-0.676

All results from a given calculation for FClO (chlorosyl fluoride)

using model chemistry: ROHF/aug-cc-pV(T+d)Z

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-1.380	1.890	0.000	2.340
CHELPG
AIM
ESP

<r²>	46.948
(<r²>)^1/2	6.852