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	hartrees
Energy at 0K	-130.415755
Energy at 298.15K	-130.416845
HF Energy	-130.415755
Nuclear repulsion energy	28.872877

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3680	3527	71.21
2	A'	1279	1226	18.44
3	A'	1151	1103	157.28

Atom	x (Å)	y (Å)
N1	0.058	0.758
O2	0.058	-0.556
H3	-0.868	-0.861

	N1	O2	H3
N1		1.3145	1.8655
O2	1.3145		0.9748
H3	1.8655	0.9748

Number	Element	Mulliken
1	N	-0.054
2	O	-0.138
3	H	0.192

All results from a given calculation for NOH (Hydroxyimidogen)

using model chemistry: mPW1PW91/cc-pVDZ

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
	-1.701	-1.363	0.000	2.180
CHELPG
AIM
ESP

	x	y	z
x	1.240	0.250	0.000
y	0.250	2.103	0.000
z	0.000	0.000	0.829

<r²>	14.768
(<r²>)^1/2	3.843