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	hartrees
Energy at 0K	-664.948182
Energy at 298.15K	-664.949585
HF Energy	-664.948182
Nuclear repulsion energy	144.907361

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1701	1684	267.17
2	A'	1144	1132	141.20
3	A'	755	748	104.29
4	A'	320	316	105.88
5	A'	148	147	8.17
6	A"	497	492	1.78

Atom	x (Å)	y (Å)
Cl1	-1.322	-0.592
O2	0.000	0.978
N3	1.205	0.711
O4	1.755	-0.342

	Cl1	O2	N3	O4
Cl1		2.0527	2.8428	3.0867
O2	2.0527		1.2343	2.1961
N3	2.8428	1.2343		1.1877
O4	3.0867	2.1961	1.1877

Number	Element	Mulliken
1	Cl	-0.121
2	O	-0.102
3	N	0.327
4	O	-0.105

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

using model chemistry: PBEPBEultrafine/6-311G*

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
	1.564	0.949	0.000	1.830
CHELPG
AIM
ESP

	x	y	z
x	8.500	1.828	0.000
y	1.828	4.167	0.000
z	0.000	0.000	1.638

<r²>	100.586
(<r²>)^1/2	10.029