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	hartrees
Energy at 0K	-452.496228
Energy at 298.15K	-452.497356
HF Energy	-452.496228
Nuclear repulsion energy	46.268739

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3640	3307	10.71
2	A'	1323	1202	51.48
3	A'	1233	1121	1.70

Atom	x (Å)	y (Å)
N1	0.039	1.009
S2	0.039	-0.527
H3	-0.904	1.368

	N1	S2	H3
N1		1.5354	1.0095
S2	1.5354		2.1169
H3	1.0095	2.1169

Number	Element	Mulliken
1	N	-0.403
2	S	0.173
3	H	0.231

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

using model chemistry: HF/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
	-1.742	-0.042	0.000	1.743
CHELPG
AIM
ESP

	x	y	z
x	1.998	-0.351	0.000
y	-0.351	4.849	0.000
z	0.000	0.000	1.723

<r²>	26.144
(<r²>)^1/2	5.113