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	hartrees
Energy at 0K	-871.588073
Energy at 298.15K
HF Energy	-871.588073
Nuclear repulsion energy	140.576462

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'	1199	1157	133.36	15.96	0.37	0.54
2	A'	682	658	46.86	27.06	0.20	0.34
3	A'	379	366	7.87	6.15	0.57	0.72

Atom	x (Å)	y (Å)
O1	1.458	0.821
S2	0.000	0.676
S3	-0.729	-1.087

	O1	S2	S3
O1		1.4649	2.9021
S2	1.4649		1.9081
S3	2.9021	1.9081

Number	Element	Mulliken
1	O	-0.183
2	S	0.336
3	S	-0.153

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

using model chemistry: B3LYP/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
	-1.213	0.483	0.000	1.306
CHELPG
AIM
ESP

	x	y	z
x	5.733	2.258	0.000
y	2.258	7.199	0.000
z	0.000	0.000	3.398

<r²>	76.274
(<r²>)^1/2	8.734