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	hartrees
Energy at 0K	-129.563324
Energy at 298.15K	-129.564382
HF Energy	-129.499137
Nuclear repulsion energy	27.000115

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3407	3407	22.14
2	A'	1195	1195	21.67
3	A'	993	993	129.42

Atom	x (Å)	y (Å)
N1	0.060	0.816
O2	0.060	-0.603
H3	-0.898	-0.891

	N1	O2	H3
N1		1.4194	1.9582
O2	1.4194		1.0007
H3	1.9582	1.0007

Number	Element	Mulliken
1	N	0.054
2	O	-0.440
3	H	0.386

All results from a given calculation for NOH (Hydroxyimidogen)

using model chemistry: B2PLYP/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
	-1.945	-0.933	0.000	2.158
CHELPG
AIM
ESP

	x	y	z
x	1.125	0.344	0.000
y	0.344	2.135	0.000
z	0.000	0.000	0.517

<r²>	15.915
(<r²>)^1/2	3.989