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	hartrees
Energy at 0K	-449.964089
Energy at 298.15K	-449.965182
HF Energy	-449.964089
Nuclear repulsion energy	44.608760

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2919	2871	27.56
2	A'	1226	1206	29.00
3	A'	1015	999	0.18

Atom	x (Å)	y (Å)
N1	0.042	1.044
S2	0.042	-0.545
H3	-0.961	1.412

	N1	S2	H3
N1		1.5893	1.0684
S2	1.5893		2.1992
H3	1.0684	2.1992

Number	Element	Mulliken
1	N	-0.429
2	S	0.132
3	H	0.297

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

using model chemistry: LSDA/3-21G

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
	-1.739	0.026	0.000	1.739
CHELPG
AIM
ESP

	x	y	z
x	2.021	-0.529	0.000
y	-0.529	4.131	0.000
z	0.000	0.000	1.593

<r²>	26.883
(<r²>)^1/2	5.185