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	hartrees
Energy at 0K	-931.922194
Energy at 298.15K	-931.922934
HF Energy	-931.922194
Nuclear repulsion energy	143.745371

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1335	1335	130.17
2	A'	547	547	134.07
3	A'	348	348	3.17

Atom	x (Å)	y (Å)
Cl1	-0.670	-1.122
S2	0.000	0.798
O3	1.424	0.788

	Cl1	S2	O3
Cl1		2.0330	2.8343
S2	2.0330		1.4244
O3	2.8343	1.4244

Number	Element	Mulliken
1	Cl	-0.188
2	S	0.839
3	O	-0.651

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

using model chemistry: ROHF/aug-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
	-1.682	0.694	0.000	1.819
CHELPG
AIM
ESP

<r²>	79.686
(<r²>)^1/2	8.927