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	hartrees
Energy at 0K	-130.535274
Energy at 298.15K
HF Energy	-130.535274
Nuclear repulsion energy	30.548342

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'	2852	2763	148.87	242.26	0.32	0.48
2	A'	1667	1615	82.91	15.28	0.71	0.83
3	A'	1566	1517	9.26	15.64	0.52	0.68

Atom	x (Å)	y (Å)
H1	-0.942	0.920
N2	0.063	0.577
O3	0.063	-0.620

	H1	N2	O3
H1		1.0616	1.8384
N2	1.0616		1.1970
O3	1.8384	1.1970

Number	Element	Mulliken
1	H	0.139
2	N	0.006
3	O	-0.145

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

using model chemistry: B3LYP/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
	-1.396	0.918	0.000	1.671
CHELPG
AIM
ESP

	x	y	z
x	1.948	-0.405	0.000
y	-0.405	2.519	0.000
z	0.000	0.000	1.317

<r²>	14.176
(<r²>)^1/2	3.765