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	hartrees
Energy at 0K	-130.427572
Energy at 298.15K
HF Energy	-130.427572
Nuclear repulsion energy	30.182005

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'	2652	2652	226.98	312.39	0.33	0.50
2	A'	1612	1612	98.86	17.49	0.74	0.85
3	A'	1512	1512	10.04	29.35	0.39	0.56

Atom	x (Å)	y (Å)
H1	-0.962	0.929
N2	0.064	0.583
O3	0.064	-0.627

	H1	N2	O3
H1		1.0825	1.8637
N2	1.0825		1.2101
O3	1.8637	1.2101

Number	Element	Mulliken
1	H	0.082
2	N	0.251
3	O	-0.333

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

using model chemistry: B97D3/aug-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
	-1.283	0.809	0.000	1.516
CHELPG
AIM
ESP

	x	y	z
x	2.428	-0.463	0.000
y	-0.463	2.868	0.000
z	0.000	0.000	1.522

<r²>	14.474
(<r²>)^1/2	3.804