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	hartrees
Energy at 0K	-130.442615
Energy at 298.15K	-130.443699
HF Energy	-130.442615
Nuclear repulsion energy	28.898776

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3701	3542	69.96
2	A'	1249	1195	21.42
3	A'	1126	1078	176.19

Atom	x (Å)	y (Å)
N1	0.057	0.759
O2	0.057	-0.555
H3	-0.859	-0.875

	N1	O2	H3
N1		1.3137	1.8730
O2	1.3137		0.9702
H3	1.8730	0.9702

Number	Element	Mulliken
1	N	-0.087
2	O	-0.220
3	H	0.307

All results from a given calculation for NOH (Hydroxyimidogen)

using model chemistry: B1B95/TZVP

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
	-1.829	-1.448	0.000	2.333
CHELPG
AIM
ESP

	x	y	z
x	1.455	0.240	0.000
y	0.240	2.405	0.000
z	0.000	0.000	1.141

<r²>	14.998
(<r²>)^1/2	3.873