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	hartrees
Energy at 0K	-130.471884
Energy at 298.15K	-130.472968
HF Energy	-130.471884
Nuclear repulsion energy	28.594610

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3594	3462	25.49
2	A'	1249	1203	1.97
3	A'	1127	1085	177.56

Atom	x (Å)	y (Å)
N1	0.057	0.768
O2	0.057	-0.561
H3	-0.862	-0.887

	N1	O2	H3
N1		1.3290	1.8932
O2	1.3290		0.9754
H3	1.8932	0.9754

Number	Element	Mulliken
1	N	-0.012
2	O	-0.407
3	H	0.420

All results from a given calculation for NOH (Hydroxyimidogen)

using model chemistry: TPSSh/6-311G*

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
	-1.869	-1.387	0.000	2.327
CHELPG
AIM
ESP

	x	y	z
x	1.307	0.275	0.000
y	0.275	2.259	0.000
z	0.000	0.000	0.883

<r²>	15.084
(<r²>)^1/2	3.884