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	hartrees
Energy at 0K	-933.509760
Energy at 298.15K	-933.510287
HF Energy	-933.509760
Nuclear repulsion energy	138.095724

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1150	1109	89.28
2	A'	474	457	104.58
3	A'	292	281	4.58

Atom	x (Å)	y (Å)
Cl1	-0.702	-1.163
S2	0.000	0.820
O3	1.491	0.832

	Cl1	S2	O3
Cl1		2.1043	2.9648
S2	2.1043		1.4913
O3	2.9648	1.4913

Number	Element	Mulliken
1	Cl	-0.165
2	S	0.462
3	O	-0.297

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

using model chemistry: B3PW91/TZVP

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
	-1.445	1.043	0.000	1.782
CHELPG
AIM
ESP

	x	y	z
x	5.114	1.879	0.000
y	1.879	6.129	0.000
z	0.000	0.000	2.270

<r²>	84.718
(<r²>)^1/2	9.204