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	hartrees
Energy at 0K	-453.259437
Energy at 298.15K	-453.260528
HF Energy	-453.259437
Nuclear repulsion energy	44.646829

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3172	3143	5.12
2	A'	1200	1190	18.28
3	A'	1011	1002	0.08

Atom	x (Å)	y (Å)
N1	0.041	1.050
S2	0.041	-0.545
H3	-0.951	1.371

	N1	S2	H3
N1		1.5945	1.0430
S2	1.5945		2.1573
H3	1.0430	2.1573

Number	Element	Mulliken
1	N	-0.370
2	S	0.145
3	H	0.226

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

using model chemistry: PBEPBE/6-311G**

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
	-1.652	-0.038	0.000	1.652
CHELPG
AIM
ESP

	x	y	z
x	2.210	-0.383	0.000
y	-0.383	4.723	0.000
z	0.000	0.000	1.776

<r²>	27.109
(<r²>)^1/2	5.207