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	hartrees
Energy at 0K	-933.579137
Energy at 298.15K	-933.579707
HF Energy	-933.579137
Nuclear repulsion energy	140.761381

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1202	1148	73.67
2	A'	504	481	101.78
3	A'	305	292	2.74

Atom	x (Å)	y (Å)
Cl1	-0.690	-1.140
S2	0.000	0.803
O3	1.465	0.818

	Cl1	S2	O3
Cl1		2.0617	2.9114
S2	2.0617		1.4653
O3	2.9114	1.4653

Number	Element	Mulliken
1	Cl	-0.145
2	S	0.335
3	O	-0.190

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

using model chemistry: mPW1PW91/6-31G(2df,p)

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
	-1.180	0.782	0.000	1.415
CHELPG
AIM
ESP

	x	y	z
x	5.034	1.555	0.000
y	1.555	6.203	0.000
z	0.000	0.000	3.144

<r²>	81.764
(<r²>)^1/2	9.042