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	hartrees
Energy at 0K	-671.308281
Energy at 298.15K	-671.311875
HF Energy	-671.308281
Nuclear repulsion energy	195.794498

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1437	1305	263.83
2	A'	912	829	252.11
3	A'	592	538	47.82
4	A'	425	386	9.39
5	A"	853	775	272.05
6	A"	433	393	8.94

Atom	x (Å)	y (Å)	z (Å)
S1	0.246	0.356	0.000
O2	-1.046	0.927	0.000
F3	0.246	-0.729	1.135
F4	0.246	-0.729	-1.135

	S1	O2	F3	F4
S1		1.4130	1.5702	1.5702
O2	1.4130		2.3876	2.3876
F3	1.5702	2.3876		2.2702
F4	1.5702	2.3876	2.2702

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.210		O2	S1	F4	106.210
F3	S1	F4	92.591

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

using model chemistry: HF/TZVP

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	1.067
2	O	-0.486
3	F	-0.290
4	F	-0.290

	x	y	z	Total
	2.250	0.619	0.000	2.334
CHELPG
AIM
ESP

	x	y	z
x	2.798	-0.621	0.000
y	-0.621	2.861	0.000
z	0.000	0.000	2.829

<r²>	70.360
(<r²>)^1/2	8.388

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

using model chemistry: HF/TZVP

States and conformations

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