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	hartrees
Energy at 0K	-130.443492
Energy at 298.15K
HF Energy	-130.295794
Nuclear repulsion energy	30.342344

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'	2944	2944	125.18	261.07	0.31	0.48
2	A'	1603	1603	66.29	10.34	0.39	0.56
3	A'	1540	1540	7.46	15.68	0.50	0.66

Atom	x (Å)	y (Å)
H1	-0.939	0.917
N2	0.063	0.583
O3	0.063	-0.625

	H1	N2	O3
H1		1.0552	1.8383
N2	1.0552		1.2081
O3	1.8383	1.2081

Number	Element	Mulliken
1	H	0.494
2	N	-0.122
3	O	-0.372

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

using model chemistry: B2PLYP/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
	-1.420	0.907	0.000	1.685
CHELPG
AIM
ESP

	x	y	z
x	2.282	-0.341	0.000
y	-0.341	2.790	0.000
z	0.000	0.000	1.620

<r²>	14.364
(<r²>)^1/2	3.790