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	hartrees
Energy at 0K	-36.230773
Energy at 298.15K
HF Energy	-36.230773
Nuclear repulsion energy	28.959306

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'	1128	1089	146.01	22.68	0.46	0.63
2	A'	660	638	45.47	27.46	0.28	0.44
3	A'	366	353	11.50	9.81	0.65	0.79

Atom	x (Å)	y (Å)
O1	1.495	0.821
S2	0.000	0.691
S3	-0.747	-1.101

	O1	S2	S3
O1		1.5003	2.9534
S2	1.5003		1.9416
S3	2.9534	1.9416

Number	Element	Mulliken
1	O	-0.290
2	S	0.387
3	S	-0.097

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

using model chemistry: B3LYP/CEP-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
	-1.603	0.509	0.000	1.682
CHELPG
AIM
ESP

	x	y	z
x	5.458	2.947	0.000
y	2.947	7.223	0.000
z	0.000	0.000	2.364

<r²>	49.595
(<r²>)^1/2	7.042