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	hartrees
Energy at 0K	-664.863068
Energy at 298.15K	-664.864471
HF Energy	-664.863068
Nuclear repulsion energy	147.165131

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1678	1655	233.14
2	A'	1053	1039	80.45
3	A'	772	762	61.10
4	A'	315	310	103.73
5	A'	161	159	14.05
6	A"	490	483	1.28

Atom	x (Å)	y (Å)
Cl1	-1.295	-0.507
O2	0.000	0.963
N3	1.229	0.653
O4	1.677	-0.457

	Cl1	O2	N3	O4
Cl1		1.9593	2.7774	2.9719
O2	1.9593		1.2670	2.1975
N3	2.7774	1.2670		1.1976
O4	2.9719	2.1975	1.1976

Number	Element	Mulliken
1	Cl	-0.037
2	O	-0.185
3	N	0.405
4	O	-0.184

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

using model chemistry: PBEPBEultrafine/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
	0.884	0.610	0.000	1.073
CHELPG
AIM
ESP

	x	y	z
x	7.875	1.273	0.000
y	1.273	3.905	0.000
z	0.000	0.000	1.883

<r²>	95.554
(<r²>)^1/2	9.775