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	hartrees
Energy at 0K	-453.412736
Energy at 298.15K	-453.413841
HF Energy	-453.412736
Nuclear repulsion energy	44.953602

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3291	3175	3.02
2	A'	1230	1187	26.06
3	A'	1083	1045	0.18

Atom	x (Å)	y (Å)
N1	0.041	1.042
S2	0.041	-0.541
H3	-0.947	1.362

	N1	S2	H3
N1		1.5831	1.0389
S2	1.5831		2.1441
H3	1.0389	2.1441

Number	Element	Mulliken
1	N	-0.219
2	S	0.072
3	H	0.148

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

using model chemistry: B3PW91/cc-pVDZ

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
	-1.510	-0.075	0.000	1.512
CHELPG
AIM
ESP

	x	y	z
x	2.095	-0.379	0.000
y	-0.379	4.439	0.000
z	0.000	0.000	1.753

<r²>	26.508
(<r²>)^1/2	5.149