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	hartrees
Energy at 0K	-452.531942
Energy at 298.15K	-452.533070
HF Energy	-452.531942
Nuclear repulsion energy	46.559961

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3648	3315	14.40
2	A'	1302	1183	62.14
3	A'	1245	1131	1.32

Atom	x (Å)	y (Å)
N1	0.039	1.001
S2	0.039	-0.524
H3	-0.898	1.369

	N1	S2	H3
N1		1.5248	1.0062
S2	1.5248		2.1118
H3	1.0062	2.1118

Number	Element	Mulliken
1	N	-0.736
2	S	0.443
3	H	0.293

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

using model chemistry: HF/aug-cc-pVQZ

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
	-1.447	-0.021	0.000	1.447
CHELPG
AIM
ESP

	x	y	z
x	3.837	-0.177	0.000
y	-0.177	5.589	0.000
z	0.000	0.000	3.282

<r²>	25.898
(<r²>)^1/2	5.089