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	hartrees
Energy at 0K	-673.019282
Energy at 298.15K	-673.022632
HF Energy	-673.019282
Nuclear repulsion energy	191.591676

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1352	1283	157.36
2	A'	852	809	163.44
3	A'	512	486	27.25
4	A'	354	336	4.66
5	A"	803	763	183.79
6	A"	366	347	5.81

Atom	x (Å)	y (Å)	z (Å)
S1	0.248	0.362	0.000
O2	-1.054	0.967	0.000
F3	0.248	-0.752	1.159
F4	0.248	-0.752	-1.159

	S1	O2	F3	F4
S1		1.4358	1.6076	1.6076
O2	1.4358		2.4479	2.4479
F3	1.6076	2.4479		2.3184
F4	1.6076	2.4479	2.3184

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.956		O2	S1	F4	106.956
F3	S1	F4	92.283

All results from a given calculation for F₂SO (Thionyl Fluoride)

using model chemistry: B1B95/6-31G*

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	S	1.102
2	O	-0.453
3	F	-0.324
4	F	-0.324

	x	y	z	Total
	1.715	0.504	0.000	1.787
CHELPG
AIM
ESP

	x	y	z
x	2.876	-0.654	0.000
y	-0.654	3.043	0.000
z	0.000	0.000	2.979

<r²>	72.095
(<r²>)^1/2	8.491

All results from a given calculation for F2SO (Thionyl Fluoride)

using model chemistry: B1B95/6-31G*

States and conformations

All results from a given calculation for F₂SO (Thionyl Fluoride)