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	hartrees
Energy at 0K	-526.707744
Energy at 298.15K	-526.708559
HF Energy	-526.707744
Nuclear repulsion energy	88.389243

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'	1856	1675	488.99	312.23	0.51	0.67
2	A'	811	732	22.06	11.76	0.17	0.29
3	A'	466	421	5.48	22.42	0.61	0.76

Atom	x (Å)	y (Å)
N1	0.000	0.643
S2	-0.520	-0.875
O3	1.039	1.188

	N1	S2	O3
N1		1.6047	1.1732
S2	1.6047		2.5856
O3	1.1732	2.5856

Number	Element	Mulliken
1	N	0.018
2	S	0.210
3	O	-0.228

All results from a given calculation for SNO (Nitrogen oxide sulfide)

using model chemistry: HF/6-31G**

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
	-0.606	-0.809	0.000	1.011
CHELPG
AIM
ESP

	x	y	z
x	4.197	2.411	0.000
y	2.411	5.680	0.000
z	0.000	0.000	1.989

<r²>	54.155
(<r²>)^1/2	7.359