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	hartrees
Energy at 0K	-453.407540
Energy at 298.15K	-453.408616
HF Energy	-453.407540
Nuclear repulsion energy	42.745656

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3207	3085	11.69
2	A'	1251	1204	29.39
3	A'	922	887	0.22

Atom	x (Å)	y (Å)
N1	0.041	1.100
S2	0.041	-0.572
H3	-0.942	1.453

	N1	S2	H3
N1		1.6724	1.0445
S2	1.6724		2.2514
H3	1.0445	2.2514

Number	Element	Mulliken
1	N	-0.539
2	S	0.234
3	H	0.305

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

using model chemistry: B3LYP/6-31G

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
	-1.919	-0.005	0.000	1.919
CHELPG
AIM
ESP

	x	y	z
x	1.899	-0.468	0.000
y	-0.468	4.869	0.000
z	0.000	0.000	1.562

<r²>	28.578
(<r²>)^1/2	5.346