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	hartrees
Energy at 0K	-452.179902
Energy at 298.15K	-452.181002
HF Energy	-452.179902
Nuclear repulsion energy	45.351065

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3217	3187	1.20
2	A'	1183	1172	28.75
3	A'	1071	1061	6.60

Atom	x (Å)	y (Å)
N1	0.041	1.030
S2	0.041	-0.536
H3	-0.940	1.374

	N1	S2	H3
N1		1.5660	1.0397
S2	1.5660		2.1478
H3	1.0397	2.1478

Number	Element	Mulliken
1	N	-0.495
2	S	0.309
3	H	0.186

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

using model chemistry: LSDA/aug-cc-pVTZ

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
	-1.382	-0.064	0.000	1.384
CHELPG
AIM
ESP

	x	y	z
x	4.256	-0.166	0.000
y	-0.166	5.768	0.000
z	0.000	0.000	3.367

<r²>	26.644
(<r²>)^1/2	5.162