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	hartrees
Energy at 0K	-130.325333
Energy at 298.15K	-130.326422
HF Energy	-130.325333
Nuclear repulsion energy	28.858780

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3699	3557	69.16
2	A'	1270	1222	14.24
3	A'	1153	1109	169.92

Atom	x (Å)	y (Å)
N1	0.058	0.760
O2	0.058	-0.556
H3	-0.863	-0.871

	N1	O2	H3
N1		1.3153	1.8722
O2	1.3153		0.9730
H3	1.8722	0.9730

Number	Element	Mulliken
1	N	0.086
2	O	-0.251
3	H	0.166

All results from a given calculation for NOH (Hydroxyimidogen)

using model chemistry: PBE1PBE/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
	-1.652	-1.431	0.000	2.186
CHELPG
AIM
ESP

	x	y	z
x	1.910	0.217	0.000
y	0.217	2.748	0.000
z	0.000	0.000	1.706

<r²>	15.091
(<r²>)^1/2	3.885