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	hartrees
Energy at 0K	-128.656449
Energy at 298.15K	-128.657524
HF Energy	-128.656449
Nuclear repulsion energy	27.132371

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3633	3216	11.07
2	A'	1338	1184	1.21
3	A'	1202	1064	94.82

Atom	x (Å)	y (Å)
N1	0.063	0.804
O2	0.063	-0.600
H3	-0.945	-0.825

	N1	O2	H3
N1		1.4044	1.9160
O2	1.4044		1.0331
H3	1.9160	1.0331

Number	Element	Mulliken
1	N	-0.047
2	O	-0.166
3	H	0.214

All results from a given calculation for NOH (Hydroxyimidogen)

using model chemistry: B3PW91/STO-3G

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
	-1.430	-0.994	0.000	1.741
CHELPG
AIM
ESP

	x	y	z
x	0.854	0.328	0.000
y	0.328	1.356	0.000
z	0.000	0.000	0.294

<r²>	15.153
(<r²>)^1/2	3.893