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	hartrees
Energy at 0K	-453.508427
Energy at 298.15K	-453.509538
HF Energy	-453.508427
Nuclear repulsion energy	45.442063

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3348	3209	3.08
2	A'	1271	1218	32.06
3	A'	1111	1065	0.29

Atom	x (Å)	y (Å)
N1	0.040	1.029
S2	0.040	-0.536
H3	-0.926	1.376

	N1	S2	H3
N1		1.5645	1.0271
S2	1.5645		2.1423
H3	1.0271	2.1423

Number	Element	Mulliken
1	N	-0.509
2	S	0.175
3	H	0.334

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

using model chemistry: B1B95/6-311G*

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
	-1.733	-0.085	0.000	1.735
CHELPG
AIM
ESP

	x	y	z
x	2.090	-0.365	0.000
y	-0.365	4.602	0.000
z	0.000	0.000	1.713

<r²>	26.511
(<r²>)^1/2	5.149