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	hartrees
Energy at 0K	-871.175856
Energy at 298.15K
HF Energy	-871.175856
Nuclear repulsion energy	140.416529

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'	1194	1141	179.27	25.71	0.46	0.63
2	A'	701	670	49.41	31.78	0.20	0.33
3	A'	383	366	12.36	6.87	0.64	0.78

Atom	x (Å)	y (Å)
O1	1.473	0.801
S2	0.000	0.676
S3	-0.736	-1.077

	O1	S2	S3
O1		1.4780	2.8997
S2	1.4780		1.9019
S3	2.8997	1.9019

Number	Element	Mulliken
1	O	-0.383
2	S	0.445
3	S	-0.062

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

using model chemistry: PBE1PBE/6-31+G**

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
x	6.453	2.635	0.000
y	2.635	7.581	0.000
z	0.000	0.000	3.296

<r²>	76.836
(<r²>)^1/2	8.766