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	hartrees
Energy at 0K	-35.330445
Energy at 298.15K
HF Energy	-35.330445
Nuclear repulsion energy	27.689296

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'	950	867	269.65	50.83	0.19	0.32
2	A'	613	559	67.90	77.32	0.24	0.39
3	A'	325	296	16.96	11.22	0.70	0.83

Atom	x (Å)	y (Å)
O1	1.589	0.734
S2	0.000	0.750
S3	-0.794	-1.117

	O1	S2	S3
O1		1.5890	3.0180
S2	1.5890		2.0293
S3	3.0180	2.0293

Number	Element	Mulliken
1	O	-0.546
2	S	0.649
3	S	-0.103

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

using model chemistry: HF/CEP-121G

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
	-2.396	0.979	0.000	2.589
CHELPG
AIM
ESP

	x	y	z
x	7.652	4.499	0.000
y	4.499	8.440	0.000
z	0.000	0.000	2.297

<r²>	53.073
(<r²>)^1/2	7.285