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	hartrees
Energy at 0K	-20.121122
Energy at 298.15K	-20.122248
HF Energy	-20.121122
Nuclear repulsion energy	14.361765

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3655	3302	4.04
2	A'	1336	1207	53.48
3	A'	1221	1103	1.48

Atom	x (Å)	y (Å)
N1	0.040	1.018
S2	0.040	-0.531
H3	-0.910	1.369

	N1	S2	H3
N1		1.5484	1.0122
S2	1.5484		2.1235
H3	1.0122	2.1235

Number	Element	Mulliken
1	N	-0.404
2	S	0.064
3	H	0.340

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

using model chemistry: HF/CEP-121G*

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
	-1.699	-0.057	0.000	1.700
CHELPG
AIM
ESP

	x	y	z
x	2.413	-0.305	0.000
y	-0.305	5.005	0.000
z	0.000	0.000	1.986

<r²>	20.835
(<r²>)^1/2	4.564