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	hartrees
Energy at 0K	-933.678794
Energy at 298.15K	-933.679374
HF Energy	-933.678794
Nuclear repulsion energy	141.457684

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1214	1163	86.09
2	A'	502	480	103.21
3	A'	311	297	2.54

Atom	x (Å)	y (Å)
Cl1	-0.687	-1.134
S2	0.000	0.799
O3	1.459	0.811

	Cl1	S2	O3
Cl1		2.0510	2.8955
S2	2.0510		1.4590
O3	2.8955	1.4590

Number	Element	Mulliken
1	Cl	-0.185
2	S	0.504
3	O	-0.318

All results from a given calculation for ClSO (Sulfur chloride oxide)

using model chemistry: mPW1PW91/cc-pV(T+d)Z

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	Total
	-1.330	0.666	0.000	1.488
CHELPG
AIM
ESP

	x	y	z
x	5.852	1.482	0.000
y	1.482	6.802	0.000
z	0.000	0.000	3.858

<r²>	81.302
(<r²>)^1/2	9.017