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	hartrees
Energy at 0K	-452.519611
Energy at 298.15K	-452.520738
HF Energy	-452.519611
Nuclear repulsion energy	46.568264

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3649	3307	10.81
2	A'	1302	1180	61.42
3	A'	1247	1130	0.54

Atom	x (Å)	y (Å)
N1	0.039	0.998
S2	0.039	-0.524
H3	-0.887	1.394

	N1	S2	H3
N1		1.5217	1.0071
S2	1.5217		2.1296
H3	1.0071	2.1296

Number	Element	Mulliken
1	N	-0.309
2	S	0.115
3	H	0.195

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

using model chemistry: HF/Def2TZVPP

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
	-1.546	-0.083	0.000	1.548
CHELPG
AIM
ESP

	x	y	z
x	2.608	-0.242	0.000
y	-0.242	5.097	0.000
z	0.000	0.000	2.380

<r²>	25.801
(<r²>)^1/2	5.079