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	hartrees
Energy at 0K	-130.444286
Energy at 298.15K
HF Energy	-130.444286
Nuclear repulsion energy	30.553940

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'	2830	2712	169.93	220.06	0.32	0.49
2	A'	1741	1669	81.51	15.64	0.75	0.86
3	A'	1576	1510	11.69	18.01	0.62	0.77

Atom	x (Å)	y (Å)
H1	-0.954	0.914
N2	0.064	0.576
O3	0.064	-0.619

	H1	N2	O3
H1		1.0718	1.8396
N2	1.0718		1.1951
O3	1.8396	1.1951

Number	Element	Mulliken
1	H	0.106
2	N	0.055
3	O	-0.161

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

using model chemistry: mPW1PW91/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
	-1.380	0.902	0.000	1.649
CHELPG
AIM
ESP

	x	y	z
x	1.456	-0.452	0.000
y	-0.452	2.094	0.000
z	0.000	0.000	0.821

<r²>	13.948
(<r²>)^1/2	3.735