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	hartrees
Energy at 0K	-871.245203
Energy at 298.15K
HF Energy	-871.245203
Nuclear repulsion energy	140.002274

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'	1183	1135	174.44	25.93	0.40	0.57
2	A'	695	667	50.58	28.20	0.26	0.42
3	A'	382	367	12.27	8.73	0.65	0.79

Atom	x (Å)	y (Å)
O1	1.479	0.791
S2	0.000	0.682
S3	-0.739	-1.078

	O1	S2	S3
O1		1.4825	2.9000
S2	1.4825		1.9092
S3	2.9000	1.9092

Number	Element	Mulliken
1	O	-0.322
2	S	0.450
3	S	-0.128

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

using model chemistry: PBE1PBE/TZVP

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
	-1.641	0.473	0.000	1.708
CHELPG
AIM
ESP

	x	y	z
x	5.744	2.677	0.000
y	2.677	7.109	0.000
z	0.000	0.000	2.571

<r²>	76.867
(<r²>)^1/2	8.767