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	hartrees
Energy at 0K	-664.923591
Energy at 298.15K	-664.925222
HF Energy	-664.923591
Nuclear repulsion energy	154.242697

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1784	1716	269.78
2	A'	895	861	2.92
3	A'	739	710	88.57
4	A'	504	485	29.15
5	A'	247	238	0.51
6	A"	430	414	0.90

Atom	x (Å)	y (Å)
Cl1	-1.228	-0.327
O2	0.000	0.918
N3	1.283	0.495
O4	1.486	-0.656

	Cl1	O2	N3	O4
Cl1		1.7486	2.6419	2.7336
O2	1.7486		1.3508	2.1649
N3	2.6419	1.3508		1.1694
O4	2.7336	2.1649	1.1694

Number	Element	Mulliken
1	Cl	0.265
2	O	-0.465
3	N	0.542
4	O	-0.342

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

using model chemistry: PBE1PBE/aug-cc-pVDZ

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
	-0.272	-0.068	0.000	0.281
CHELPG
AIM
ESP

	x	y	z
x	7.646	0.392	0.000
y	0.392	4.769	0.000
z	0.000	0.000	3.425

<r²>	86.276
(<r²>)^1/2	9.288