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	hartrees
Energy at 0K	-129.744657
Energy at 298.15K
HF Energy	-129.744657
Nuclear repulsion energy	30.356369

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'	3416	3074	41.09	148.76	0.38	0.55
2	A'	1795	1615	35.22	25.66	0.41	0.58
3	A'	1657	1491	50.08	13.14	0.74	0.85

Atom	x (Å)	y (Å)
H1	-0.902	0.948
N2	0.060	0.583
O3	0.060	-0.628

	H1	N2	O3
H1		1.0289	1.8468
N2	1.0289		1.2113
O3	1.8468	1.2113

Number	Element	Mulliken
1	H	0.285
2	N	-0.067
3	O	-0.218

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

using model chemistry: HF/LANL2DZ

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
	-1.978	1.461	0.000	2.459
CHELPG
AIM
ESP

	x	y	z
x	1.149	-0.359	0.000
y	-0.359	2.403	0.000
z	0.000	0.000	0.696

<r²>	14.354
(<r²>)^1/2	3.789