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	hartrees
Energy at 0K	-452.176950
Energy at 298.15K	-452.178050
HF Energy	-452.176950
Nuclear repulsion energy	45.315652

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3210	3175	1.65
2	A'	1189	1176	28.48
3	A'	1071	1059	3.71

Atom	x (Å)	y (Å)
N1	0.041	1.031
S2	0.041	-0.537
H3	-0.943	1.368

	N1	S2	H3
N1		1.5677	1.0403
S2	1.5677		2.1439
H3	1.0403	2.1439

Number	Element	Mulliken
1	N	-0.243
2	S	0.072
3	H	0.171

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

using model chemistry: LSDA/cc-pVTZ

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
	-1.462	-0.097	0.000	1.465
CHELPG
AIM
ESP

	x	y	z
x	2.848	-0.305	0.000
y	-0.305	4.920	0.000
z	0.000	0.000	2.375

<r²>	26.495
(<r²>)^1/2	5.147