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	hartrees
Energy at 0K	-65.355907
Energy at 298.15K	-65.356982
HF Energy	-65.355907
Nuclear repulsion energy	18.271602

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3243	3118	16.00
2	A'	1240	1191	27.19
3	A'	926	890	0.92

Atom	x (Å)	y (Å)
N1	0.041	1.096
S2	0.041	-0.571
H3	-0.937	1.471

	N1	S2	H3
N1		1.6673	1.0466
S2	1.6673		2.2638
H3	1.0466	2.2638

Number	Element	Mulliken
1	N	-0.509
2	S	0.220
3	H	0.289

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

using model chemistry: B3LYP/LANL2DZ

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
	-2.035	-0.208	0.000	2.046
CHELPG
AIM
ESP

	x	y	z
x	1.262	-0.417	0.000
y	-0.417	5.044	0.000
z	0.000	0.000	1.181

<r²>	24.853
(<r²>)^1/2	4.985