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	hartrees
Energy at 0K	-130.353409
Energy at 298.15K
HF Energy	-130.353409
Nuclear repulsion energy	29.922470

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'	2964	2964	115.34	209.52	0.35	0.51
2	A'	1638	1638	45.95	14.33	0.65	0.79
3	A'	1567	1567	16.25	17.53	0.73	0.84

Atom	x (Å)	y (Å)
H1	-0.937	0.946
N2	0.062	0.591
O3	0.062	-0.635

	H1	N2	O3
H1		1.0606	1.8706
N2	1.0606		1.2262
O3	1.8706	1.2262

Number	Element	Mulliken
1	H	0.294
2	N	-0.036
3	O	-0.259

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

using model chemistry: M06-2X/6-31G

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
	-1.828	1.150	0.000	2.160
CHELPG
AIM
ESP

	x	y	z
x	1.307	-0.470	0.000
y	-0.470	2.167	0.000
z	0.000	0.000	0.706

<r²>	14.511
(<r²>)^1/2	3.809