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	hartrees
Energy at 0K	-453.278025
Energy at 298.15K	-453.279119
HF Energy	-453.278025
Nuclear repulsion energy	45.032285

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3192	3153	3.92
2	A'	1196	1182	25.19
3	A'	1035	1022	2.02

Atom	x (Å)	y (Å)
N1	0.040	1.019
S2	0.040	-0.534
H3	-0.915	1.415

	N1	S2	H3
N1		1.5530	1.0341
S2	1.5530		2.1709
H3	1.0341	2.1709

Number	Element	Mulliken
1	N	-0.227
2	S	0.047
3	H	0.180

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

using model chemistry: PBEPBE/Def2TZVPP

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
	-1.425	-0.087	0.000	1.428
CHELPG
AIM
ESP

	x	y	z
x	2.864	-0.284	0.000
y	-0.284	5.159	0.000
z	0.000	0.000	2.429

<r²>	26.697
(<r²>)^1/2	5.167