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	hartrees
Energy at 0K	-130.354345
Energy at 298.15K
HF Energy	-130.354345
Nuclear repulsion energy	30.534099

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'	2905	2794	139.74	259.21	0.32	0.49
2	A'	1733	1667	82.80	15.70	0.73	0.85
3	A'	1565	1505	12.49	13.81	0.34	0.51

Atom	x (Å)	y (Å)
H1	-0.946	0.917
N2	0.063	0.577
O3	0.063	-0.620

	H1	N2	O3
H1		1.0652	1.8389
N2	1.0652		1.1971
O3	1.8389	1.1971

Number	Element	Mulliken
1	H	0.108
2	N	0.261
3	O	-0.369

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

using model chemistry: PBE1PBE/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
	-1.395	0.887	0.000	1.653
CHELPG
AIM
ESP

	x	y	z
x	2.199	-0.374	0.000
y	-0.374	2.718	0.000
z	0.000	0.000	1.477

<r²>	14.256
(<r²>)^1/2	3.776