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	hartrees
Energy at 0K	-130.389122
Energy at 298.15K	-130.390208
HF Energy	-130.389122
Nuclear repulsion energy	28.747772

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3695	3541	55.79
2	A'	1271	1218	10.45
3	A'	1143	1096	171.93

Atom	x (Å)	y (Å)
N1	0.058	0.763
O2	0.058	-0.559
H3	-0.865	-0.871

	N1	O2	H3
N1		1.3213	1.8762
O2	1.3213		0.9741
H3	1.8762	0.9741

Number	Element	Mulliken
1	N	-0.008
2	O	-0.353
3	H	0.361

All results from a given calculation for NOH (Hydroxyimidogen)

using model chemistry: B3PW91/6-31G**

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
	-1.769	-1.439	0.000	2.280
CHELPG
AIM
ESP

	x	y	z
x	1.296	0.261	0.000
y	0.261	2.159	0.000
z	0.000	0.000	0.889

<r²>	14.889
(<r²>)^1/2	3.859