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	hartrees
Energy at 0K	-130.491678
Energy at 298.15K
HF Energy	-130.491678
Nuclear repulsion energy	30.711173

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'	2910	2910	150.46	235.84	0.33	0.49
2	A'	1723	1723	85.10	17.33	0.73	0.85
3	A'	1581	1581	11.11	16.73	0.56	0.72

Atom	x (Å)	y (Å)
H1	-0.940	0.916
N2	0.063	0.574
O3	0.063	-0.616

	H1	N2	O3
H1		1.0596	1.8311
N2	1.0596		1.1900
O3	1.8311	1.1900

Number	Element	Mulliken
1	H	0.145
2	N	0.031
3	O	-0.177

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

using model chemistry: mPW1PW91/Def2TZVPP

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
	-1.413	0.894	0.000	1.672
CHELPG
AIM
ESP

	x	y	z
x	1.861	-0.426	0.000
y	-0.426	2.442	0.000
z	0.000	0.000	1.204

<r²>	14.054
(<r²>)^1/2	3.749