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	hartrees
Energy at 0K	-130.369485
Energy at 298.15K
HF Energy	-130.248200
Nuclear repulsion energy	30.105019

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'	2991	2991	116.24	207.01	0.41	0.58
2	A'	1607	1607	59.70	13.29	0.52	0.68
3	A'	1551	1551	3.36	11.97	0.71	0.83

Atom	x (Å)	y (Å)
H1	-0.941	0.917
N2	0.063	0.589
O3	0.063	-0.630

	H1	N2	O3
H1		1.0560	1.8444
N2	1.0560		1.2194
O3	1.8444	1.2194

Number	Element	Mulliken
1	H	0.245
2	N	-0.194
3	O	-0.051

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

using model chemistry: B2PLYP=FULLultrafine/6-31+G**

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
	-1.588	0.990	0.000	1.872
CHELPG
AIM
ESP

	x	y	z
x	1.799	-0.349	0.000
y	-0.349	2.499	0.000
z	0.000	0.000	1.143

<r²>	14.514
(<r²>)^1/2	3.810