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	hartrees
Energy at 0K	-130.529953
Energy at 298.15K
HF Energy	-130.529953
Nuclear repulsion energy	30.532032

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'	2859	2859	145.63	274.44	0.32	0.49
2	A'	1662	1662	88.46	15.64	0.73	0.84
3	A'	1559	1559	7.84	16.82	0.34	0.51

Atom	x (Å)	y (Å)
H1	-0.942	0.921
N2	0.063	0.577
O3	0.063	-0.620

	H1	N2	O3
H1		1.0617	1.8399
N2	1.0617		1.1977
O3	1.8399	1.1977

Number	Element	Mulliken
1	H	0.260
2	N	-0.017
3	O	-0.243

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

using model chemistry: B3LYP/aug-cc-pCVTZ

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
	-1.385	0.897	0.000	1.650
CHELPG
AIM
ESP

	x	y	z
x	2.298	-0.382	0.000
y	-0.382	2.812	0.000
z	0.000	0.000	1.578

<r²>	14.289
(<r²>)^1/2	3.780