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	hartrees
Energy at 0K	-453.228392
Energy at 298.15K	-453.229487
HF Energy	-453.228392
Nuclear repulsion energy	44.861098

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3193	3160	4.88
2	A'	1212	1199	23.59
3	A'	1031	1021	0.61

Atom	x (Å)	y (Å)
N1	0.041	1.044
S2	0.041	-0.542
H3	-0.951	1.365

	N1	S2	H3
N1		1.5859	1.0429
S2	1.5859		2.1498
H3	1.0429	2.1498

Number	Element	Mulliken
1	N	-0.261
2	S	-0.008
3	H	0.268

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

using model chemistry: PBEPBE/6-31G(2df,p)

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
	-1.356	0.065	0.000	1.357
CHELPG
AIM
ESP

	x	y	z
x	2.846	-0.370	0.000
y	-0.370	4.646	0.000
z	0.000	0.000	2.301

<r²>	26.619
(<r²>)^1/2	5.159