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	hartrees
Energy at 0K	-130.383086
Energy at 298.15K
HF Energy	-130.383086
Nuclear repulsion energy	30.687227

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'	2909	2909	140.16	263.36	0.32	0.48
2	A'	1720	1720	85.94	15.57	0.75	0.85
3	A'	1572	1572	11.32	15.26	0.31	0.47

Atom	x (Å)	y (Å)
H1	-0.941	0.917
N2	0.063	0.574
O3	0.063	-0.617

	H1	N2	O3
H1		1.0603	1.8326
N2	1.0603		1.1909
O3	1.8326	1.1909

Number	Element	Mulliken
1	H	0.447
2	N	-0.035
3	O	-0.412

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

using model chemistry: PBE1PBE/daug-cc-pVTZ

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
	-1.385	0.873	0.000	1.638
CHELPG
AIM
ESP

	x	y	z
x	2.306	-0.364	0.000
y	-0.364	2.775	0.000
z	0.000	0.000	1.596

<r²>	14.160
(<r²>)^1/2	3.763