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	hartrees
Energy at 0K	-996.132510
Energy at 298.15K	-996.133733
HF Energy	-996.132510
Nuclear repulsion energy	237.464553

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	757	727	217.99
2	A'	699	671	168.72
3	A'	390	375	10.76
4	A'	316	303	10.89
5	A"	660	633	149.21
6	A"	258	247	0.24

Atom	x (Å)	y (Å)	z (Å)
S1	0.534	0.147	0.000
S2	-1.134	0.979	0.000
F3	0.534	-1.001	1.173
F4	0.534	-1.001	-1.173

	S1	S2	F3	F4
S1		1.8631	1.6414	1.6414
S2	1.8631		2.8415	2.8415
F3	1.6414	2.8415		2.3458
F4	1.6414	2.8415	2.3458

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	108.184		S2	S1	F4	108.184
F3	S1	F4	91.212

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

using model chemistry: B1B95/6-311G**

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	0.794
2	S	-0.166
3	F	-0.314
4	F	-0.314

	x	y	z	Total
	0.751	1.379	0.000	1.570
CHELPG
AIM
ESP

	x	y	z
x	6.277	-2.339	0.000
y	-2.339	4.865	0.000
z	0.000	0.000	3.725

<r²>	111.304
(<r²>)^1/2	10.550

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

using model chemistry: B1B95/6-311G**

States and conformations

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