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	hartrees
Energy at 0K	-933.681431
Energy at 298.15K	-933.682014
HF Energy	-933.681431
Nuclear repulsion energy	141.310888

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1212	1212	87.21
2	A'	503	503	104.94
3	A'	310	310	2.79

Atom	x (Å)	y (Å)
Cl1	-0.687	-1.135
S2	0.000	0.799
O3	1.460	0.814

	Cl1	S2	O3
Cl1		2.0531	2.8998
S2	2.0531		1.4603
O3	2.8998	1.4603

Number	Element	Mulliken
1	Cl	-0.132
2	S	0.448
3	O	-0.316

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

using model chemistry: mPW1PW91/cc-pCVTZ

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
	-1.373	0.663	0.000	1.525
CHELPG
AIM
ESP

	x	y	z
x	5.205	1.600	0.000
y	1.600	6.306	0.000
z	0.000	0.000	3.090

<r²>	81.386
(<r²>)^1/2	9.021