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	hartrees
Energy at 0K	-664.863024
Energy at 298.15K	-664.864411
HF Energy	-664.863024
Nuclear repulsion energy	147.177516

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1679	1656	232.88
2	A'	1054	1039	80.86
3	A'	772	762	60.89
4	A'	303	299	101.87
5	A'	160	158	16.05
6	A"	489	483	1.28

Atom	x (Å)	y (Å)
Cl1	-1.295	-0.507
O2	0.000	0.964
N3	1.228	0.653
O4	1.676	-0.457

	Cl1	O2	N3	O4
Cl1		1.9595	2.7770	2.9711
O2	1.9595		1.2668	2.1973
N3	2.7770	1.2668		1.1976
O4	2.9711	2.1973	1.1976

Number	Element	Mulliken
1	Cl	-0.037
2	O	-0.185
3	N	0.406
4	O	-0.184

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

using model chemistry: PBEPBE/6-31G**

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
	0.885	0.612	0.000	1.076
CHELPG
AIM
ESP

	x	y	z
x	7.872	1.274	0.000
y	1.274	3.906	0.000
z	0.000	0.000	1.883

<r²>	95.531
(<r²>)^1/2	9.774