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	hartrees
Energy at 0K	-871.364614
Energy at 298.15K
HF Energy	-871.364614
Nuclear repulsion energy	130.016646

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'	966	966	73.60	20.30	0.34	0.51
2	A'	549	549	18.40	24.65	0.28	0.44
3	A'	305	305	10.32	13.79	0.68	0.81

Atom	x (Å)	y (Å)
O1	1.594	0.759
S2	0.000	0.767
S3	-0.797	-1.146

	O1	S2	S3
O1		1.5938	3.0574
S2	1.5938		2.0726
S3	3.0574	2.0726

Number	Element	Mulliken
1	O	-0.506
2	S	0.586
3	S	-0.080

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

using model chemistry: wB97X-D/SDD

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
	-1.933	0.958	0.000	2.157
CHELPG
AIM
ESP

	x	y	z
x	6.231	3.523	0.000
y	3.523	7.165	0.000
z	0.000	0.000	1.806

<r²>	85.981
(<r²>)^1/2	9.273