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	hartrees
Energy at 0K	-453.450756
Energy at 298.15K	-453.451845
HF Energy	-453.450756
Nuclear repulsion energy	44.627357

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3151	3134	7.33
2	A'	1216	1210	23.32
3	A'	997	991	0.33

Atom	x (Å)	y (Å)
N1	0.041	1.050
S2	0.041	-0.545
H3	-0.950	1.375

	N1	S2	H3
N1		1.5949	1.0437
S2	1.5949		2.1614
H3	1.0437	2.1614

Number	Element	Mulliken
1	N	-0.231
2	S	-0.018
3	H	0.249

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

using model chemistry: BLYP/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
	-1.341	0.048	0.000	1.342
CHELPG
AIM
ESP

	x	y	z
x	2.841	-0.389	0.000
y	-0.389	4.687	0.000
z	0.000	0.000	2.294

<r²>	26.819
(<r²>)^1/2	5.179