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	hartrees
Energy at 0K	-453.529639
Energy at 298.15K	-453.530743
HF Energy	-453.529639
Nuclear repulsion energy	45.291401

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3318	3211	1.11
2	A'	1229	1189	34.46
3	A'	1073	1038	3.35

Atom	x (Å)	y (Å)
N1	0.040	1.025
S2	0.040	-0.536
H3	-0.918	1.393

	N1	S2	H3
N1		1.5612	1.0259
S2	1.5612		2.1536
H3	1.0259	2.1536

Number	Element	Mulliken
1	N	-0.477
2	S	0.295
3	H	0.182

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

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

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
	-1.371	-0.075	0.000	1.373
CHELPG
AIM
ESP

	x	y	z
x	4.134	-0.171	0.000
y	-0.171	5.759	0.000
z	0.000	0.000	3.350

<r²>	26.719
(<r²>)^1/2	5.169