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	hartrees
Energy at 0K	-984.230792
Energy at 298.15K	-984.231647
HF Energy	-984.230792
Nuclear repulsion energy	225.408757

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	780	685	80.40
2	A'	710	624	5.34
3	A'	316	278	8.86
4	A'	261	230	3.81
5	A"	703	618	36.65
6	A"	224	197	1.62

Atom	x (Å)	y (Å)	z (Å)
S1	0.586	0.216	0.000
S2	-1.244	0.942	0.000
F3	0.586	-1.030	1.220
F4	0.586	-1.030	-1.220

	S1	S2	F3	F4
S1		1.9685	1.7435	1.7435
S2	1.9685		2.9534	2.9534
F3	1.7435	2.9534		2.4393
F4	1.7435	2.9534	2.4393

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	105.273		S2	S1	F4	105.273
F3	S1	F4	88.782

All results from a given calculation for S₂F₂ (Thio-thionyl fluoride)

using model chemistry: mPW1PW91/STO-3G

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	0.452
2	S	-0.172
3	F	-0.140
4	F	-0.140

	x	y	z	Total
	1.512	0.128	0.000	1.517
CHELPG
AIM
ESP

	x	y	z
x	3.402	-2.017	0.000
y	-2.017	2.793	0.000
z	0.000	0.000	2.218

<r²>	116.575
(<r²>)^1/2	10.797

All results from a given calculation for S2F2 (Thio-thionyl fluoride)

using model chemistry: mPW1PW91/STO-3G

States and conformations

All results from a given calculation for S₂F₂ (Thio-thionyl fluoride)