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	hartrees
Energy at 0K	-871.720560
Energy at 298.15K
HF Energy	-871.720560
Nuclear repulsion energy	142.662920

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'	1246	1246	174.89	23.15	0.39	0.56
2	A'	727	727	53.96	27.82	0.21	0.35
3	A'	394	394	8.75	6.60	0.59	0.74

Atom	x (Å)	y (Å)
O1	1.444	0.796
S2	0.000	0.666
S3	-0.722	-1.064

	O1	S2	S3
O1		1.4502	2.8560
S2	1.4502		1.8753
S3	2.8560	1.8753

Number	Element	Mulliken
1	O	-0.344
2	S	0.460
3	S	-0.116

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

using model chemistry: B1B95/Def2TZVPP

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
	-1.506	0.205	0.000	1.520
CHELPG
AIM
ESP

	x	y	z
x	5.883	2.240	0.000
y	2.240	7.156	0.000
z	0.000	0.000	3.298

<r²>	74.483
(<r²>)^1/2	8.630