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	hartrees
Energy at 0K	-1318.558696
Energy at 298.15K	-1318.558949
Nuclear repulsion energy	186.077600

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	493	475	11.83
2	A₁	193	186	0.82
3	B₂	478	460	84.18

Atom	y (Å)	z (Å)
S1	0.000	0.862
Cl2	1.633	-0.406
Cl3	-1.633	-0.406

	S1	Cl2	Cl3
S1		2.0673	2.0673
Cl2	2.0673		3.2660
Cl3	2.0673	3.2660

Number	Element	Mulliken
1	S	0.134
2	Cl	-0.067
3	Cl	-0.067

All results from a given calculation for SCl₂ (Sulfur dichloride)

using model chemistry: B3LYPultrafine/6-31+G**

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z
x	3.986	0.000	0.000
y	0.000	9.227	-0.008
z	0.000	-0.008	5.553

<r²>	131.938
(<r²>)^1/2	11.486

All results from a given calculation for SCl2 (Sulfur dichloride)

using model chemistry: B3LYPultrafine/6-31+G**

States and conformations

All results from a given calculation for SCl₂ (Sulfur dichloride)