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	hartrees
Energy at 0K	-871.615111
Energy at 298.15K
HF Energy	-871.615111
Nuclear repulsion energy	139.982716

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'	1180	1126	175.19	26.14	0.40	0.57
2	A'	692	661	50.40	28.34	0.26	0.42
3	A'	382	365	12.32	8.74	0.65	0.79

Atom	x (Å)	y (Å)
O1	1.478	0.791
S2	0.000	0.683
S3	-0.739	-1.078

	O1	S2	S3
O1		1.4823	2.9005
S2	1.4823		1.9098
S3	2.9005	1.9098

Number	Element	Mulliken
1	O	-0.327
2	S	0.456
3	S	-0.129

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

using model chemistry: mPW1PW91/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
	-1.652	0.477	0.000	1.719
CHELPG
AIM
ESP

	x	y	z
x	5.744	2.683	0.000
y	2.683	7.106	0.000
z	0.000	0.000	2.567

<r²>	76.857
(<r²>)^1/2	8.767