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	hartrees
Energy at 0K	-446.942472
Energy at 298.15K	-446.943560
HF Energy	-446.942472
Nuclear repulsion energy	43.326366

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3133	2806	79.27
2	A'	1351	1210	11.16
3	A'	1092	978	1.66

Atom	x (Å)	y (Å)
N1	0.044	1.080
S2	0.044	-0.559
H3	-1.019	1.383

	N1	S2	H3
N1		1.6395	1.1054
S2	1.6395		2.2139
H3	1.1054	2.2139

Number	Element	Mulliken
1	N	-0.308
2	S	0.165
3	H	0.143

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

using model chemistry: LSDA/STO-3G

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
	-1.359	-0.538	0.000	1.462
CHELPG
AIM
ESP

	x	y	z
x	0.763	-0.483	0.000
y	-0.483	2.547	0.000
z	0.000	0.000	0.753

<r²>	26.319
(<r²>)^1/2	5.130