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	hartrees
Energy at 0K	-453.469925
Energy at 298.15K	-453.471035
HF Energy	-453.469925
Nuclear repulsion energy	45.335390

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3342	3191	4.35
2	A'	1266	1209	34.07
3	A'	1114	1064	0.24

Atom	x (Å)	y (Å)
N1	0.041	1.032
S2	0.041	-0.537
H3	-0.934	1.369

	N1	S2	H3
N1		1.5685	1.0308
S2	1.5685		2.1401
H3	1.0308	2.1401

Number	Element	Mulliken
1	N	-0.508
2	S	0.164
3	H	0.344

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

using model chemistry: B1B95/6-31G**

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
	-1.620	-0.063	0.000	1.622
CHELPG
AIM
ESP

	x	y	z
x	2.214	-0.388	0.000
y	-0.388	4.420	0.000
z	0.000	0.000	1.756

<r²>	26.351
(<r²>)^1/2	5.133