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	hartrees
Energy at 0K	-453.525694
Energy at 298.15K	-453.526797
HF Energy	-453.525694
Nuclear repulsion energy	45.166709

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3284	3180	2.22
2	A'	1232	1193	31.19
3	A'	1065	1031	1.21

Atom	x (Å)	y (Å)
N1	0.040	1.019
S2	0.040	-0.534
H3	-0.911	1.410

	N1	S2	H3
N1		1.5530	1.0276
S2	1.5530		2.1636
H3	1.0276	2.1636

Number	Element	Mulliken
1	N	-0.232
2	S	0.066
3	H	0.166

All results from a given calculation for HNS (Sulfur imide)

using model chemistry: TPSSh/cc-pVTZ

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
	-1.430	-0.010	0.000	1.430
CHELPG
AIM
ESP

	x	y	z
x	2.816	-0.304	0.000
y	-0.304	4.966	0.000
z	0.000	0.000	2.377

<r²>	26.522
(<r²>)^1/2	5.150