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	hartrees
Energy at 0K	-993.940914
Energy at 298.15K	-993.942427
HF Energy	-993.940914
Nuclear repulsion energy	241.478063

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	861	782	301.72
2	A'	721	655	170.10
3	A'	464	422	15.93
4	A'	372	338	17.61
5	A"	828	753	193.66
6	A"	296	269	0.99

Atom	x (Å)	y (Å)	z (Å)
S1	0.540	0.127	0.000
S2	-1.148	0.963	0.000
F3	0.540	-0.970	1.137
F4	0.540	-0.970	-1.137

	S1	S2	F3	F4
S1		1.8843	1.5800	1.5800
S2	1.8843		2.8074	2.8074
F3	1.5800	2.8074		2.2747
F4	1.5800	2.8074	2.2747

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	107.942		S2	S1	F4	107.942
F3	S1	F4	92.079

All results from a given calculation for S₂F₂ (Thio-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	0.804
2	S	-0.264
3	F	-0.270
4	F	-0.270

	x	y	z	Total
	1.482	0.679	0.000	1.630
CHELPG
AIM
ESP

	x	y	z
x	6.131	-2.027	0.000
y	-2.027	4.481	0.000
z	0.000	0.000	3.625

<r²>	109.190
(<r²>)^1/2	10.449

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

using model chemistry: HF/TZVP

States and conformations

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