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	hartrees
Energy at 0K	-933.659744
Energy at 298.15K	-933.660222
HF Energy	-933.659744
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1127	1111	77.93
2	A'	438	432	86.37
3	A'	277	273	3.32

Atom	x (Å)	y (Å)
Cl1	-0.700	-1.178
S2	0.000	0.823
O3	1.488	0.858

	Cl1	S2	O3
Cl1		2.1197	2.9893
S2	2.1197		1.4885
O3	2.9893	1.4885

Number	Element	Mulliken
1	Cl	-0.151
2	S	0.454
3	O	-0.304

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

using model chemistry: B97D3/cc-pVTZ

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
	-1.196	0.880	0.000	1.484
CHELPG
AIM
ESP

	x	y	z
x	5.422	1.847	0.000
y	1.847	6.774	0.000
z	0.000	0.000	3.063

<r²>	85.252
(<r²>)^1/2	9.233