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	hartrees
Energy at 0K	-130.465237
Energy at 298.15K	-130.466320
HF Energy	-130.465237
Nuclear repulsion energy	28.616617

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3637	3530	64.02
2	A'	1227	1191	2.43
3	A'	1120	1087	177.12

Atom	x (Å)	y (Å)
N1	0.058	0.767
O2	0.058	-0.561
H3	-0.865	-0.880

	N1	O2	H3
N1		1.3278	1.8878
O2	1.3278		0.9764
H3	1.8878	0.9764

Number	Element	Mulliken
1	N	0.060
2	O	-0.189
3	H	0.129

All results from a given calculation for NOH (Hydroxyimidogen)

using model chemistry: B3LYPultrafine/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
	-1.649	-1.422	0.000	2.178
CHELPG
AIM
ESP

	x	y	z
x	1.943	0.231	0.000
y	0.231	2.841	0.000
z	0.000	0.000	1.729

<r²>	15.286
(<r²>)^1/2	3.910