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	hartrees
Energy at 0K	-450.307403
Energy at 298.15K	-450.308528
HF Energy	-450.307403
Nuclear repulsion energy	45.908769

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3469	3131	3.59
2	A'	1325	1196	77.20
3	A'	1213	1094	3.80

Atom	x (Å)	y (Å)
N1	0.039	1.012
S2	0.039	-0.532
H3	-0.894	1.429

	N1	S2	H3
N1		1.5442	1.0212
S2	1.5442		2.1711
H3	1.0212	2.1711

Number	Element	Mulliken
1	N	-0.485
2	S	0.154
3	H	0.331

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

using model chemistry: HF/3-21G*

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
	-1.841	0.061	0.000	1.842
CHELPG
AIM
ESP

	x	y	z
x	1.787	-0.466	0.000
y	-0.466	4.412	0.000
z	0.000	0.000	1.539

<r²>	26.220
(<r²>)^1/2	5.121