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	hartrees
Energy at 0K	-452.050694
Energy at 298.15K	-452.051764
HF Energy	-452.050694
Nuclear repulsion energy	42.705786

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3073	3010	16.40
2	A'	1216	1191	23.71
3	A'	911	893	0.26

Atom	x (Å)	y (Å)
N1	0.042	1.100
S2	0.042	-0.572
H3	-0.960	1.446

	N1	S2	H3
N1		1.6719	1.0593
S2	1.6719		2.2525
H3	1.0593	2.2525

Number	Element	Mulliken
1	N	-0.550
2	S	0.230
3	H	0.319

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

using model chemistry: LSDA/6-31G

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
	-1.951	-0.002	0.000	1.951
CHELPG
AIM
ESP

	x	y	z
x	1.990	-0.474	0.000
y	-0.474	4.755	0.000
z	0.000	0.000	1.589

<r²>	28.576
(<r²>)^1/2	5.346