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	hartrees
Energy at 0K	-661.882739
Energy at 298.15K	-661.883902
HF Energy	-661.882739
Nuclear repulsion energy	142.551729

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1333	1326	148.85
2	A'	735	731	3.46
3	A'	584	581	15.89
4	A'	360	358	33.81
5	A'	149	148	3.66
6	A"	386	384	0.68

Atom	x (Å)	y (Å)
Cl1	-1.338	-0.363
O2	0.000	0.993
N3	1.395	0.530
O4	1.622	-0.684

	Cl1	O2	N3	O4
Cl1		1.9049	2.8743	2.9768
O2	1.9049		1.4695	2.3329
N3	2.8743	1.4695		1.2346
O4	2.9768	2.3329	1.2346

Number	Element	Mulliken
1	Cl	0.031
2	O	-0.174
3	N	0.317
4	O	-0.175

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

using model chemistry: BLYP/3-21G

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
	0.569	-0.031	0.000	0.570
CHELPG
AIM
ESP

	x	y	z
x	6.883	0.696	0.000
y	0.696	3.154	0.000
z	0.000	0.000	1.024

<r²>	98.498
(<r²>)^1/2	9.925