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	hartrees
Energy at 0K	-453.401351
Energy at 298.15K	-453.402458
HF Energy	-453.401351
Nuclear repulsion energy	45.423372

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3339	3210	3.16
2	A'	1241	1193	31.90
3	A'	1098	1056	1.33

Atom	x (Å)	y (Å)
N1	0.041	1.030
S2	0.041	-0.536
H3	-0.935	1.362

	N1	S2	H3
N1		1.5654	1.0308
S2	1.5654		2.1337
H3	1.0308	2.1337

Number	Element	Mulliken
1	N	-0.290
2	S	0.003
3	H	0.287

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

using model chemistry: B3PW91/6-31G(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
	-1.405	0.023	0.000	1.405
CHELPG
AIM
ESP

	x	y	z
x	2.769	-0.349	0.000
y	-0.349	4.587	0.000
z	0.000	0.000	2.286

<r²>	26.216
(<r²>)^1/2	5.120