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	hartrees
Energy at 0K	-452.122961
Energy at 298.15K	-452.124060
HF Energy	-452.122961
Nuclear repulsion energy	45.320025

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3216	3165	2.97
2	A'	1193	1174	27.02
3	A'	1071	1054	2.58

Atom	x (Å)	y (Å)
N1	0.041	1.031
S2	0.041	-0.536
H3	-0.947	1.362

	N1	S2	H3
N1		1.5675	1.0423
S2	1.5675		2.1404
H3	1.0423	2.1404

Number	Element	Mulliken
1	N	-0.257
2	S	-0.033
3	H	0.290

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

using model chemistry: LSDA/6-31G(2df,p)

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
	-1.407	0.035	0.000	1.407
CHELPG
AIM
ESP

	x	y	z
x	2.820	-0.370	0.000
y	-0.370	4.553	0.000
z	0.000	0.000	2.279

<r²>	26.307
(<r²>)^1/2	5.129