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	hartrees
Energy at 0K	-130.425852
Energy at 298.15K
HF Energy	-130.290066
Nuclear repulsion energy	30.310448

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'	2925	2925	157.46	259.39	0.36	0.52
2	A'	1599	1599	60.01	14.39	0.62	0.76
3	A'	1548	1548	10.30	24.91	0.68	0.81

Atom	x (Å)	y (Å)
H1	-0.941	0.920
N2	0.063	0.583
O3	0.063	-0.625

	H1	N2	O3
H1		1.0580	1.8422
N2	1.0580		1.2090
O3	1.8422	1.2090

Number	Element	Mulliken
1	H	0.154
2	N	-0.039
3	O	-0.116

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

using model chemistry: B2PLYP=FULLultrafine/TZVP

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
	-1.536	0.937	0.000	1.800
CHELPG
AIM
ESP

	x	y	z
x	1.715	-0.451	0.000
y	-0.451	2.379	0.000
z	0.000	0.000	1.040

<r²>	14.345
(<r²>)^1/2	3.787