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	hartrees
Energy at 0K	-667.882960
Energy at 298.15K	-667.886589
HF Energy	-667.882960
Nuclear repulsion energy	195.835066

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1465	1323	214.62
2	A'	985	889	192.25
3	A'	596	538	60.84
4	A'	425	383	11.49
5	A"	945	853	198.47
6	A"	436	394	15.09

Atom	x (Å)	y (Å)	z (Å)
S1	0.245	0.355	0.000
O2	-1.041	0.942	0.000
F3	0.245	-0.735	1.128
F4	0.245	-0.735	-1.128

	S1	O2	F3	F4
S1		1.4139	1.5690	1.5690
O2	1.4139		2.3958	2.3958
F3	1.5690	2.3958		2.2570
F4	1.5690	2.3958	2.2570

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.752		O2	S1	F4	106.752
F3	S1	F4	91.981

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

using model chemistry: HF/3-21G*

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	1.336
2	O	-0.550
3	F	-0.393
4	F	-0.393

	x	y	z	Total
	2.312	0.668	0.000	2.406
CHELPG
AIM
ESP

	x	y	z
x	2.051	-0.607	0.000
y	-0.607	2.179	0.000
z	0.000	0.000	2.213

<r²>	70.007
(<r²>)^1/2	8.367

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

using model chemistry: HF/3-21G*

States and conformations

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