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	hartrees
Energy at 0K	-130.353433
Energy at 298.15K	-130.354522
HF Energy	-130.353433
Nuclear repulsion energy	28.935666

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3703	3560	72.52
2	A'	1269	1220	9.13
3	A'	1151	1107	175.78

Atom	x (Å)	y (Å)
N1	0.057	0.758
O2	0.057	-0.554
H3	-0.860	-0.871

	N1	O2	H3
N1		1.3118	1.8688
O2	1.3118		0.9702
H3	1.8688	0.9702

Number	Element	Mulliken
1	N	-0.068
2	O	-0.152
3	H	0.221

All results from a given calculation for NOH (Hydroxyimidogen)

using model chemistry: PBE1PBE/aug-cc-pVTZ

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
	-1.640	-1.452	0.000	2.191
CHELPG
AIM
ESP

	x	y	z
x	1.963	0.207	0.000
y	0.207	2.790	0.000
z	0.000	0.000	1.780

<r²>	15.029
(<r²>)^1/2	3.877