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	hartrees
Energy at 0K	-130.419717
Energy at 298.15K	-130.420805
HF Energy	-130.419717
Nuclear repulsion energy	28.869784

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3701	3545	72.38
2	A'	1262	1209	16.79
3	A'	1144	1096	171.65

Atom	x (Å)	y (Å)
N1	0.057	0.760
O2	0.057	-0.555
H3	-0.861	-0.873

	N1	O2	H3
N1		1.3150	1.8731
O2	1.3150		0.9718
H3	1.8731	0.9718

Number	Element	Mulliken
1	N	0.075
2	O	-0.226
3	H	0.151

All results from a given calculation for NOH (Hydroxyimidogen)

using model chemistry: B1B95/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
	-1.654	-1.437	0.000	2.191
CHELPG
AIM
ESP

	x	y	z
x	1.894	0.220	0.000
y	0.220	2.749	0.000
z	0.000	0.000	1.688

<r²>	15.065
(<r²>)^1/2	3.881