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	hartrees
Energy at 0K	-130.502754
Energy at 298.15K	-130.503837
HF Energy	-130.502754
Nuclear repulsion energy	28.748448

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3645	3531	64.88
2	A'	1237	1198	0.71
3	A'	1124	1089	178.23

Atom	x (Å)	y (Å)
N1	0.057	0.763
O2	0.057	-0.558
H3	-0.861	-0.878

	N1	O2	H3
N1		1.3215	1.8807
O2	1.3215		0.9721
H3	1.8807	0.9721

Number	Element	Mulliken
1	N	-0.060
2	O	-0.196
3	H	0.255

All results from a given calculation for NOH (Hydroxyimidogen)

using model chemistry: B3LYP/cc-pVQZ

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
	-1.650	-1.449	0.000	2.196
CHELPG
AIM
ESP

	x	y	z
x	1.715	0.222	0.000
y	0.222	2.606	0.000
z	0.000	0.000	1.404

<r²>	15.096
(<r²>)^1/2	3.885