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	hartrees
Energy at 0K	-130.295075
Energy at 298.15K	-130.296166
HF Energy	-130.295075
Nuclear repulsion energy	28.810744

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3656	3474	55.98
2	A'	1297	1232	6.06
3	A'	1179	1121	178.00

Atom	x (Å)	y (Å)
N1	0.058	0.760
O2	0.058	-0.557
H3	-0.867	-0.869

	N1	O2	H3
N1		1.3172	1.8733
O2	1.3172		0.9762
H3	1.8733	0.9762

Number	Element	Mulliken
1	N	-0.004
2	O	-0.442
3	H	0.447

All results from a given calculation for NOH (Hydroxyimidogen)

using model chemistry: PBE1PBE/6-31G*

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
	-1.794	-1.416	0.000	2.285
CHELPG
AIM
ESP

	x	y	z
x	1.287	0.258	0.000
y	0.258	2.127	0.000
z	0.000	0.000	0.879

<r²>	14.870
(<r²>)^1/2	3.856