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	hartrees
Energy at 0K	-453.537039
Energy at 298.15K	-453.538144
HF Energy	-453.537039
Nuclear repulsion energy	45.429945

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3316	3213	1.42
2	A'	1231	1192	34.93
3	A'	1080	1046	2.77

Atom	x (Å)	y (Å)
N1	0.040	1.029
S2	0.040	-0.536
H3	-0.926	1.376

	N1	S2	H3
N1		1.5650	1.0269
S2	1.5650		2.1427
H3	1.0269	2.1427

Number	Element	Mulliken
1	N	-0.361
2	S	0.173
3	H	0.188

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

using model chemistry: B3LYP/cc-pVQZ

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
	-1.410	-0.092	0.000	1.413
CHELPG
AIM
ESP

	x	y	z
x	3.293	-0.247	0.000
y	-0.247	5.259	0.000
z	0.000	0.000	2.778

<r²>	26.516
(<r²>)^1/2	5.149