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	hartrees
Energy at 0K	-130.401167
Energy at 298.15K
HF Energy	-130.401167
Nuclear repulsion energy	29.561514

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'	2996	2996	142.26	189.42	0.36	0.52
2	A'	1584	1584	50.66	18.01	0.57	0.73
3	A'	1536	1536	4.98	17.20	0.75	0.86

Atom	x (Å)	y (Å)
H1	-0.940	0.955
N2	0.063	0.599
O3	0.063	-0.644

	H1	N2	O3
H1		1.0635	1.8872
N2	1.0635		1.2433
O3	1.8872	1.2433

Number	Element	Mulliken
1	H	0.260
2	N	-0.092
3	O	-0.168

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

using model chemistry: wB97X-D/SDD

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
	-1.851	1.195	0.000	2.203
CHELPG
AIM
ESP

	x	y	z
x	1.355	-0.436	0.000
y	-0.436	2.295	0.000
z	0.000	0.000	0.740

<r²>	14.661
(<r²>)^1/2	3.829