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	hartrees
Energy at 0K	-665.282962
Energy at 298.15K	-665.284575
HF Energy	-665.282962
Nuclear repulsion energy	154.486860

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1791	1716	264.10
2	A'	893	855	0.99
3	A'	714	684	90.75
4	A'	499	478	37.57
5	A'	252	241	0.38
6	A"	420	402	0.97

Atom	x (Å)	y (Å)
Cl1	-1.224	-0.318
O2	0.000	0.920
N3	1.290	0.485
O4	1.472	-0.668

	Cl1	O2	N3	O4
Cl1		1.7406	2.6393	2.7186
O2	1.7406		1.3616	2.1648
N3	2.6393	1.3616		1.1667
O4	2.7186	2.1648	1.1667

Number	Element	Mulliken
1	Cl	0.270
2	O	-0.462
3	N	0.510
4	O	-0.317

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

using model chemistry: B1B95/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
	-0.271	-0.115	0.000	0.295
CHELPG
AIM
ESP

	x	y	z
x	7.515	0.351	0.000
y	0.351	4.733	0.000
z	0.000	0.000	3.400

<r²>	85.817
(<r²>)^1/2	9.264