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	hartrees
Energy at 0K	-130.408156
Energy at 298.15K
HF Energy	-130.274587
Nuclear repulsion energy	30.330452

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'	2932	2932	167.74	217.95	0.36	0.53
2	A'	1628	1628	48.80	14.09	0.63	0.78
3	A'	1590	1590	16.57	18.53	0.72	0.84

Atom	x (Å)	y (Å)
H1	-0.939	0.919
N2	0.063	0.583
O3	0.063	-0.625

	H1	N2	O3
H1		1.0564	1.8409
N2	1.0564		1.2083
O3	1.8409	1.2083

Number	Element	Mulliken
1	H	0.268
2	N	-0.109
3	O	-0.158

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

using model chemistry: B2PLYP=FULLultrafine/6-311G*

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
	-1.529	0.933	0.000	1.791
CHELPG
AIM
ESP

	x	y	z
x	1.452	-0.440	0.000
y	-0.440	2.125	0.000
z	0.000	0.000	0.862

<r²>	14.189
(<r²>)^1/2	3.767