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	hartrees
Energy at 0K	-664.996615
Energy at 298.15K	-664.998173
HF Energy	-664.996615
Nuclear repulsion energy	153.674671

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1782	1711	319.80
2	A'	896	860	2.27
3	A'	708	680	92.40
4	A'	452	434	46.16
5	A'	234	225	0.82
6	A"	432	415	1.57

Atom	x (Å)	y (Å)
Cl1	-1.242	-0.331
O2	0.000	0.908
N3	1.290	0.500
O4	1.512	-0.641

	Cl1	O2	N3	O4
Cl1		1.7546	2.6654	2.7713
O2	1.7546		1.3530	2.1638
N3	2.6654	1.3530		1.1617
O4	2.7713	2.1638	1.1617

Number	Element	Mulliken
1	Cl	0.061
2	O	-0.110
3	N	0.148
4	O	-0.098

All results from a given calculation for ClONO (chlorine nitrite)

using model chemistry: HSEh1PBE/TZVP

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
	-0.253	-0.232	0.000	0.343
CHELPG
AIM
ESP

	x	y	z
x	6.913	0.561	0.000
y	0.561	3.865	0.000
z	0.000	0.000	2.033

<r²>	87.408
(<r²>)^1/2	9.349