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	hartrees
Energy at 0K	-130.364863
Energy at 298.15K
HF Energy	-130.364863
Nuclear repulsion energy	30.074157

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'	2658	2642	215.01	316.25	0.33	0.50
2	A'	1607	1598	95.38	18.05	0.75	0.86
3	A'	1494	1485	9.19	28.65	0.38	0.55

Atom	x (Å)	y (Å)
H1	-0.965	0.931
N2	0.064	0.586
O3	0.064	-0.629

	H1	N2	O3
H1		1.0859	1.8688
N2	1.0859		1.2146
O3	1.8688	1.2146

Number	Element	Mulliken
1	H	0.082
2	N	0.249
3	O	-0.331

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

using model chemistry: PBEPBEultrafine/aug-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
	-1.292	0.791	0.000	1.515
CHELPG
AIM
ESP

	x	y	z
x	2.463	-0.471	0.000
y	-0.471	2.894	0.000
z	0.000	0.000	1.531

<r²>	14.591
(<r²>)^1/2	3.820