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	hartrees
Energy at 0K	-664.984322
Energy at 298.15K	-664.985667
HF Energy	-664.984322
Nuclear repulsion energy	149.250511

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1632	1621	271.67
2	A'	933	927	36.06
3	A'	760	755	45.99
4	A'	292	290	92.49
5	A'	155	154	27.97
6	A"	483	480	1.00

Atom	x (Å)	y (Å)
Cl1	-1.281	-0.452
O2	0.000	0.939
N3	1.242	0.608
O4	1.636	-0.511

	Cl1	O2	N3	O4
Cl1		1.8910	2.7370	2.9180
O2	1.8910		1.2853	2.1861
N3	2.7370	1.2853		1.1866
O4	2.9180	2.1861	1.1866

Number	Element	Mulliken
1	Cl	-0.014
2	O	-0.143
3	N	0.398
4	O	-0.241

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

using model chemistry: PBEPBE/aug-cc-pVTZ

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
	0.366	0.369	0.000	0.520
CHELPG
AIM
ESP

	x	y	z
x	9.359	0.938	0.000
y	0.938	5.401	0.000
z	0.000	0.000	3.809

<r²>	93.186
(<r²>)^1/2	9.653