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	hartrees
Energy at 0K	-871.492163
Energy at 298.15K
HF Energy	-871.492163
Nuclear repulsion energy	140.176103

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1167	1124	159.71
2	A'	675	650	54.17
3	A'	383	369	12.56

Atom	x (Å)	y (Å)
O1	1.471	0.806
S2	0.000	0.679
S3	-0.735	-1.082

	O1	S2	S3
O1		1.4764	2.9043
S2	1.4764		1.9087
S3	2.9043	1.9087

Number	Element	Mulliken
1	O	-0.403
2	S	0.567
3	S	-0.164

All results from a given calculation for SSO (Disulfur monoxide)

using model chemistry: B3PW91/6-311G*

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
	-1.520	0.660	0.000	1.657
CHELPG
AIM
ESP

	x	y	z
x	5.436	2.739	0.000
y	2.739	7.108	0.000
z	0.000	0.000	2.525

<r²>	77.028
(<r²>)^1/2	8.777