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	hartrees
Energy at 0K	-130.452392
Energy at 298.15K
HF Energy	-130.452392
Nuclear repulsion energy	30.568744

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'	2913	2790	134.30	256.95	0.32	0.49
2	A'	1734	1661	81.25	15.54	0.73	0.84
3	A'	1567	1501	12.66	13.51	0.34	0.51

Atom	x (Å)	y (Å)
H1	-0.944	0.915
N2	0.063	0.577
O3	0.063	-0.619

	H1	N2	O3
H1		1.0626	1.8353
N2	1.0626		1.1961
O3	1.8353	1.1961

Number	Element	Mulliken
1	H	0.085
2	N	0.270
3	O	-0.354

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

using model chemistry: B1B95/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
	-1.394	0.897	0.000	1.658
CHELPG
AIM
ESP

	x	y	z
x	2.178	-0.370	0.000
y	-0.370	2.701	0.000
z	0.000	0.000	1.468

<r²>	14.214
(<r²>)^1/2	3.770