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	hartrees
Energy at 0K	-453.483710
Energy at 298.15K	-453.484820
HF Energy	-453.483710
Nuclear repulsion energy	45.361509

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3352	3199	3.20
2	A'	1274	1216	31.97
3	A'	1103	1052	0.30

Atom	x (Å)	y (Å)
N1	0.040	1.031
S2	0.040	-0.537
H3	-0.927	1.378

	N1	S2	H3
N1		1.5675	1.0276
S2	1.5675		2.1452
H3	1.0276	2.1452

Number	Element	Mulliken
1	N	-0.513
2	S	0.176
3	H	0.337

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

using model chemistry: mPW1PW91/6-311G*

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
	-1.744	-0.082	0.000	1.746
CHELPG
AIM
ESP

	x	y	z
x	2.082	-0.360	0.000
y	-0.360	4.626	0.000
z	0.000	0.000	1.720

<r²>	26.585
(<r²>)^1/2	5.156