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	hartrees
Energy at 0K	-657.195310
Energy at 298.15K	-657.196842
HF Energy	-657.195310
Nuclear repulsion energy	148.313563

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1714	1513	43.44
2	A'	881	778	10.31
3	A'	849	749	21.83
4	A'	694	613	12.21
5	A'	239	211	1.05
6	A"	367	324	0.30

Atom	x (Å)	y (Å)
Cl1	-1.240	-0.313
O2	0.000	0.999
N3	1.361	0.490
O4	1.445	-0.762

	Cl1	O2	N3	O4
Cl1		1.8052	2.7229	2.7222
O2	1.8052		1.4532	2.2773
N3	2.7229	1.4532		1.2547
O4	2.7222	2.2773	1.2547

Number	Element	Mulliken
1	Cl	-0.058
2	O	-0.002
3	N	0.092
4	O	-0.032

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

using model chemistry: HSEh1PBE/STO-3G

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
	0.630	0.192	0.000	0.659
CHELPG
AIM
ESP

	x	y	z
x	3.964	0.355	0.000
y	0.355	1.995	0.000
z	0.000	0.000	0.441

<r²>	88.038
(<r²>)^1/2	9.383