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	hartrees
Energy at 0K	-871.551821
Energy at 298.15K
HF Energy	-871.551821
Nuclear repulsion energy	141.311726

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'	1227	1227	176.95	20.57	0.41	0.58
2	A'	699	699	62.30	33.11	0.28	0.44
3	A'	396	396	14.45	8.10	0.64	0.78

Atom	x (Å)	y (Å)
O1	1.460	0.792
S2	0.000	0.676
S3	-0.730	-1.072

	O1	S2	S3
O1		1.4647	2.8758
S2	1.4647		1.8943
S3	2.8758	1.8943

Number	Element	Mulliken
1	O	-0.415
2	S	0.592
3	S	-0.177

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

using model chemistry: wB97X-D/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
	-1.559	0.752	0.000	1.731
CHELPG
AIM
ESP

	x	y	z
x	5.398	2.733	0.000
y	2.733	7.020	0.000
z	0.000	0.000	2.506

<r²>	76.041
(<r²>)^1/2	8.720