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	hartrees
Energy at 0K	-670.768452
Energy at 298.15K	-670.771677
HF Energy	-670.768452
Nuclear repulsion energy	187.460096

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1280	1266	124.47
2	A'	796	787	139.05
3	A'	464	459	22.21
4	A'	312	309	3.41
5	A"	755	746	169.88
6	A"	348	344	4.30

Atom	x (Å)	y (Å)	z (Å)
S1	0.254	0.372	0.000
O2	-1.079	0.971	0.000
F3	0.254	-0.762	1.194
F4	0.254	-0.762	-1.194

	S1	O2	F3	F4
S1		1.4610	1.6466	1.6466
O2	1.4610		2.4908	2.4908
F3	1.6466	2.4908		2.3880
F4	1.6466	2.4908	2.3880

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.398		O2	S1	F4	106.398
F3	S1	F4	92.958

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

using model chemistry: LSDA/cc-pVDZ

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	0.806
2	O	-0.305
3	F	-0.251
4	F	-0.251

	x	y	z	Total
	1.523	0.765	0.000	1.704
CHELPG
AIM
ESP

	x	y	z
x	2.784	-0.715	0.000
y	-0.715	3.040	0.000
z	0.000	0.000	2.996

<r²>	74.641
(<r²>)^1/2	8.640

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

using model chemistry: LSDA/cc-pVDZ

States and conformations

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