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	hartrees
Energy at 0K	-871.667095
Energy at 298.15K
HF Energy	-871.667095
Nuclear repulsion energy	141.113134

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'	1201	1153	167.37	19.49	0.42	0.59
2	A'	695	667	57.04	29.70	0.28	0.44
3	A'	390	374	13.47	8.13	0.65	0.79

Atom	x (Å)	y (Å)
O1	1.462	0.799
S2	0.000	0.675
S3	-0.731	-1.074

	O1	S2	S3
O1		1.4673	2.8839
S2	1.4673		1.8956
S3	2.8839	1.8956

Number	Element	Mulliken
1	O	-0.406
2	S	0.571
3	S	-0.166

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

using model chemistry: B1B95/6-311G**

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
	-1.536	0.661	0.000	1.672
CHELPG
AIM
ESP

	x	y	z
x	5.383	2.695	0.000
y	2.695	7.025	0.000
z	0.000	0.000	2.519

<r²>	76.198
(<r²>)^1/2	8.729