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	hartrees
Energy at 0K	-453.449199
Energy at 298.15K	-453.450282
HF Energy	-453.449199
Nuclear repulsion energy	44.326915

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3159	3143	2.68
2	A'	1189	1182	19.12
3	A'	979	974	0.48

Atom	x (Å)	y (Å)
N1	0.041	1.057
S2	0.041	-0.549
H3	-0.949	1.391

	N1	S2	H3
N1		1.6064	1.0451
S2	1.6064		2.1784
H3	1.0451	2.1784

Number	Element	Mulliken
1	N	-0.423
2	S	0.138
3	H	0.284

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

using model chemistry: BLYP/6-31+G**

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
	-1.629	-0.156	0.000	1.636
CHELPG
AIM
ESP

	x	y	z
x	3.144	-0.170	0.000
y	-0.170	5.456	0.000
z	0.000	0.000	2.219

<r²>	27.518
(<r²>)^1/2	5.246