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	hartrees
Energy at 0K	-871.533981
Energy at 298.15K
HF Energy	-871.533981
Nuclear repulsion energy	136.513532

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	1067	1058	105.71	14.63	0.39	0.56
2	A'	609	604	36.83	22.29	0.26	0.41
3	A'	347	344	8.06	9.21	0.63	0.77

Atom	x (Å)	y (Å)
O1	1.507	0.843
S2	0.000	0.694
S3	-0.753	-1.115

	O1	S2	S3
O1		1.5144	2.9907
S2	1.5144		1.9594
S3	2.9907	1.9594

Number	Element	Mulliken
1	O	-0.380
2	S	0.509
3	S	-0.129

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

using model chemistry: BLYP/6-31G**

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
	-1.220	0.670	0.000	1.392
CHELPG
AIM
ESP

	x	y	z
x	5.549	2.747	0.000
y	2.747	7.158	0.000
z	0.000	0.000	2.641

<r²>	80.035
(<r²>)^1/2	8.946