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	hartrees
Energy at 0K	-128.594454
Energy at 298.15K
HF Energy	-128.594454
Nuclear repulsion energy	28.760847

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3005	2654	128.82	61.48	0.32	0.48
2	A'	1677	1481	11.00	4.82	0.41	0.58
3	A'	1599	1412	13.99	10.64	0.73	0.84

Atom	x (Å)	y (Å)
H1	-1.011	0.936
N2	0.067	0.617
O3	0.067	-0.657

	H1	N2	O3
H1		1.1246	1.9236
N2	1.1246		1.2737
O3	1.9236	1.2737

Number	Element	Mulliken
1	H	0.128
2	N	-0.074
3	O	-0.054

All results from a given calculation for HNO (Nitrosyl hydride)

using model chemistry: HSEh1PBE/STO-3G

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
	-1.244	0.232	0.000	1.265
CHELPG
AIM
ESP

	x	y	z
x	0.750	-0.389	0.000
y	-0.389	1.267	0.000
z	0.000	0.000	0.375

<r²>	14.318
(<r²>)^1/2	3.784