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	hartrees
Energy at 0K
Energy at 298.15K	0.071330
HF Energy	0.071330
Nuclear repulsion energy	80.754759

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	548	533	0.30
2	A₁	260	253	3.50
3	A₂	195i	190i	0.00
4	B₂	2069	2015	576.23
5	B₂	653	636	29.33
6	A₁	2079	2025	51.69

Number	Element	CHELPG	AIM
1	7	0.801	0.552
2	7	-0.801	0.552
3	8	1.322	-0.483
4	8	-1.322	-0.483

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for ONNO (NO dimer)

using model chemistry: PM3

States and conformations

Conformer 1 (cis C2V)

Conformer 2 (trans C2H)

	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

	hartrees
Energy at 0K
Energy at 298.15K	0.067747
HF Energy	0.067747
Nuclear repulsion energy	80.042425

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2095	2041	0.00
2	A_g	714	696	0.00
3	A_g	355	346	0.00
4	A_u	116i	113i	0.50
5	B_u	2062	2008	563.17
6	B_u	345	336	9.60

Atom	x (Å)	y (Å)
N1	-0.370	0.692
N2	0.370	-0.692
O3	0.370	1.586
O4	-0.370	-1.586

	N1	N2	O3	O4
N1		1.5693	1.1599	2.2780
N2	1.5693		2.2780	1.1599
O3	1.1599	2.2780		3.2568
O4	2.2780	1.1599	3.2568