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	hartrees
Energy at 0K	-871.544349
Energy at 298.15K
HF Energy	-871.544349
Nuclear repulsion energy	141.988206

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'	1218	1166	170.08	22.59	0.44	0.61
2	A'	708	678	51.33	32.53	0.13	0.23
3	A'	387	370	7.35	4.99	0.48	0.65

Atom	x (Å)	y (Å)
O1	1.449	0.808
S2	0.000	0.668
S3	-0.725	-1.072

	O1	S2	S3
O1		1.4557	2.8734
S2	1.4557		1.8845
S3	2.8734	1.8845

Number	Element	Mulliken
1	O	-0.260
2	S	0.335
3	S	-0.075

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

using model chemistry: B3PW91/6-311+G(3df,2p)

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
	-1.458	0.102	0.000	1.461
CHELPG
AIM
ESP

	x	y	z
x	6.917	2.056	0.000
y	2.056	7.892	0.000
z	0.000	0.000	4.399

<r²>	75.270
(<r²>)^1/2	8.676