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	hartrees
Energy at 0K	-129.571026
Energy at 298.15K	-129.572073
HF Energy	-129.571026
Nuclear repulsion energy	26.884556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3229	3199	6.53
2	A'	1161	1150	12.57
3	A'	950	942	113.78

Atom	x (Å)	y (Å)
N1	0.061	0.818
O2	0.061	-0.604
H3	-0.913	-0.893

	N1	O2	H3
N1		1.4222	1.9692
O2	1.4222		1.0160
H3	1.9692	1.0160

Number	Element	Mulliken
1	N	0.014
2	O	-0.392
3	H	0.379

All results from a given calculation for NOH (Hydroxyimidogen)

using model chemistry: PBEPBE/3-21G

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
	-1.903	-1.140	0.000	2.219
CHELPG
AIM
ESP

	x	y	z
x	1.159	0.364	0.000
y	0.364	2.181	0.000
z	0.000	0.000	0.510

<r²>	15.962
(<r²>)^1/2	3.995